[4-methyl-1-oxo-1-[[1-oxo-4-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]butan-2-yl]amino]pentan-2-yl]carbamic acid

C26H34N4O6 — CID 91445442

IUPAC[4-methyl-1-oxo-1-[[1-oxo-4-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]butan-2-yl]amino]pentan-2-yl]carbamic acid
SMILESCC(C)CC(NC(=O)O)C(=O)NC(CCc1ccccc1)C(=O)c1nc(C(=O)N2CCCCC2)co1
InChIInChI=1S/C26H34N4O6/c1-17(2)15-20(29-26(34)35)23(32)27-19(12-11-18-9-5-3-6-10-18)22(31)24-28-21(16-36-24)25(33)30-13-7-4-8-14-30/h3,5-6,9-10,16-17,19-20,29H,4,7-8,11-15H2,1-2H3,(H,27,32)(H,34,35)
InChIKeySFFYBAYXRGYUJG-UHFFFAOYSA-N
MW498.58 g/mol
LogP3.28
Rot. Bonds11

About [4-methyl-1-oxo-1-[[1-oxo-4-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]butan-2-yl]amino]pentan-2-yl]carbamic acid

[4-methyl-1-oxo-1-[[1-oxo-4-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]butan-2-yl]amino]pentan-2-yl]carbamic acid (PubChem CID 91445442) has the molecular formula C26H34N4O6 and a molecular weight of 498.58 g/mol. Its IUPAC name is [4-methyl-1-oxo-1-[[1-oxo-4-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]butan-2-yl]amino]pentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[4-methyl-1-oxo-1-[[1-oxo-4-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]butan-2-yl]amino]pentan-2-yl]carbamic acid
PubChem CID91445442
Molecular FormulaC26H34N4O6
Molecular Weight498.58 g/mol
Exact Mass498.25
IUPAC Name[4-methyl-1-oxo-1-[[1-oxo-4-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]butan-2-yl]amino]pentan-2-yl]carbamic acid
SMILESCC(C)CC(NC(=O)O)C(=O)NC(CCc1ccccc1)C(=O)c1nc(C(=O)N2CCCCC2)co1
InChIInChI=1S/C26H34N4O6/c1-17(2)15-20(29-26(34)35)23(32)27-19(12-11-18-9-5-3-6-10-18)22(31)24-28-21(16-36-24)25(33)30-13-7-4-8-14-30/h3,5-6,9-10,16-17,19-20,29H,4,7-8,11-15H2,1-2H3,(H,27,32)(H,34,35)
InChIKeySFFYBAYXRGYUJG-UHFFFAOYSA-N
XLogP3.28
TPSA141.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [4-methyl-1-oxo-1-[[1-oxo-4-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]butan-2-yl]amino]pentan-2-yl]carbamic acid with MolForge

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Related Compounds

benzyl N-[1-[[1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-oxazol-2-yl]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 18517770
N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-3-phenylpropanamide
CID 110351597
2-methyl-3-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide
CID 10127230
[[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazole-2-carbonyl]-(3-phenylpropyl)carbamoyl]-(3-methylbutyl)carbamic acid
CID 91217377
N-[1-[[1-(1,3-benzothiazol-2-yl)-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 22721671
benzyl N-[(2S)-4-methyl-1-[[(2S)-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopentan-2-yl]carbamate
CID 58760371
methyl 2-[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-phenylbutanoyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 57303761
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenylacetamide
CID 110351358
(2S)-2-[[2-[acetyl(methyl)amino]-3-phenylpropanoyl]amino]-4-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pentanamide
CID 122466781
[(4S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-6-phenylhexan-2-yl]carbamic acid
CID 118496591
(2S)-4-methyl-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanoic acid
CID 118673135
N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-(2-phenylhydrazinyl)propan-2-yl]amino]pentan-2-yl]amino]-1-oxopentan-2-yl]piperidine-1-carboxamide
CID 118731992

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-oxo-1-[[1-oxo-4-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]butan-2-yl]amino]pentan-2-yl]carbamic acid?
The IUPAC name of [4-methyl-1-oxo-1-[[1-oxo-4-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]butan-2-yl]amino]pentan-2-yl]carbamic acid (CID 91445442) is [4-methyl-1-oxo-1-[[1-oxo-4-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]butan-2-yl]amino]pentan-2-yl]carbamic acid.
What is the SMILES notation for [4-methyl-1-oxo-1-[[1-oxo-4-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]butan-2-yl]amino]pentan-2-yl]carbamic acid?
The canonical SMILES for [4-methyl-1-oxo-1-[[1-oxo-4-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]butan-2-yl]amino]pentan-2-yl]carbamic acid is CC(C)CC(NC(=O)O)C(=O)NC(CCc1ccccc1)C(=O)c1nc(C(=O)N2CCCCC2)co1.
What is the InChIKey of [4-methyl-1-oxo-1-[[1-oxo-4-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]butan-2-yl]amino]pentan-2-yl]carbamic acid?
The InChIKey is SFFYBAYXRGYUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O6/c1-17(2)15-20(29-26(34)35)23(32)27-19(12-11-18-9-5-3-6-10-18)22(31)24-28-21(16-36-24)25(33)30-13-7-4-8-14-30/h3,5-6,9-10,16-17,19-20,29H,4,7-8,11-15H2,1-2H3,(H,27,32)(H,34,35).
What are the key properties of [4-methyl-1-oxo-1-[[1-oxo-4-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]butan-2-yl]amino]pentan-2-yl]carbamic acid?
[4-methyl-1-oxo-1-[[1-oxo-4-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]butan-2-yl]amino]pentan-2-yl]carbamic acid has a molecular weight of 498.58 g/mol, XLogP of 3.28, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-oxo-1-[[1-oxo-4-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]butan-2-yl]amino]pentan-2-yl]carbamic acid is sourced from PubChem (CID 91445442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).