N-[5-[[1-[(4,5-dimethyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]-4-methyl-1,2-oxazol-3-yl]-4-methylpentanamide

C18H27N5O4 — CID 171077486

IUPACN-[5-[[1-[(4,5-dimethyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]-4-methyl-1,2-oxazol-3-yl]-4-methylpentanamide
SMILESCc1onc(NC(=O)C(C)Nc2onc(NC(=O)CCC(C)C)c2C)c1C
InChIInChI=1S/C18H27N5O4/c1-9(2)7-8-14(24)20-16-11(4)18(27-23-16)19-12(5)17(25)21-15-10(3)13(6)26-22-15/h9,12,19H,7-8H2,1-6H3,(H,20,23,24)(H,21,22,25)
InChIKeyZMNLKLAEVHDDKE-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.40
Rot. Bonds8

About N-[5-[[1-[(4,5-dimethyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]-4-methyl-1,2-oxazol-3-yl]-4-methylpentanamide

N-[5-[[1-[(4,5-dimethyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]-4-methyl-1,2-oxazol-3-yl]-4-methylpentanamide (PubChem CID 171077486) has the molecular formula C18H27N5O4 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[5-[[1-[(4,5-dimethyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]-4-methyl-1,2-oxazol-3-yl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[5-[[1-[(4,5-dimethyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]-4-methyl-1,2-oxazol-3-yl]-4-methylpentanamide
PubChem CID171077486
Molecular FormulaC18H27N5O4
Molecular Weight377.45 g/mol
Exact Mass377.21
IUPAC NameN-[5-[[1-[(4,5-dimethyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]-4-methyl-1,2-oxazol-3-yl]-4-methylpentanamide
SMILESCc1onc(NC(=O)C(C)Nc2onc(NC(=O)CCC(C)C)c2C)c1C
InChIInChI=1S/C18H27N5O4/c1-9(2)7-8-14(24)20-16-11(4)18(27-23-16)19-12(5)17(25)21-15-10(3)13(6)26-22-15/h9,12,19H,7-8H2,1-6H3,(H,20,23,24)(H,21,22,25)
InChIKeyZMNLKLAEVHDDKE-UHFFFAOYSA-N
XLogP3.40
TPSA122.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-[[1-[(4,5-dimethyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]-4-methyl-1,2-oxazol-3-yl]-4-methylpentanamide with MolForge

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Related Compounds

N-(4,5-dimethyl-1,2-oxazol-3-yl)butanamide
CID 170582724
4-methyl-N-(1,2-oxazol-3-yl)pentanamide
CID 130694533
4-(2-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)heptanamide
CID 65487579
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide
CID 80544913
N-(6-bromo-2-methyl-3-pyridinyl)-4-methylpentanamide
CID 103909752
N-(2,4-dimethylphenyl)-4-methylpentanamide
CID 78775203
4-methyl-N-(1,3-oxazol-2-yl)pentanamide
CID 130711285
4,5-dimethyl-3-(sulfinoamino)-1,2-oxazole
CID 23442814
(2S)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(propylamino)propanamide
CID 76851958
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methylpentanamide
CID 30333438
N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 167798996
4-methyl-N-(2-methyl-3-nitrophenyl)pentanamide
CID 4800327

Frequently Asked Questions

What is the IUPAC name of N-[5-[[1-[(4,5-dimethyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]-4-methyl-1,2-oxazol-3-yl]-4-methylpentanamide?
The IUPAC name of N-[5-[[1-[(4,5-dimethyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]-4-methyl-1,2-oxazol-3-yl]-4-methylpentanamide (CID 171077486) is N-[5-[[1-[(4,5-dimethyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]-4-methyl-1,2-oxazol-3-yl]-4-methylpentanamide.
What is the SMILES notation for N-[5-[[1-[(4,5-dimethyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]-4-methyl-1,2-oxazol-3-yl]-4-methylpentanamide?
The canonical SMILES for N-[5-[[1-[(4,5-dimethyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]-4-methyl-1,2-oxazol-3-yl]-4-methylpentanamide is Cc1onc(NC(=O)C(C)Nc2onc(NC(=O)CCC(C)C)c2C)c1C.
What is the InChIKey of N-[5-[[1-[(4,5-dimethyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]-4-methyl-1,2-oxazol-3-yl]-4-methylpentanamide?
The InChIKey is ZMNLKLAEVHDDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O4/c1-9(2)7-8-14(24)20-16-11(4)18(27-23-16)19-12(5)17(25)21-15-10(3)13(6)26-22-15/h9,12,19H,7-8H2,1-6H3,(H,20,23,24)(H,21,22,25).
What are the key properties of N-[5-[[1-[(4,5-dimethyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]-4-methyl-1,2-oxazol-3-yl]-4-methylpentanamide?
N-[5-[[1-[(4,5-dimethyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]-4-methyl-1,2-oxazol-3-yl]-4-methylpentanamide has a molecular weight of 377.45 g/mol, XLogP of 3.40, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[1-[(4,5-dimethyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]-4-methyl-1,2-oxazol-3-yl]-4-methylpentanamide is sourced from PubChem (CID 171077486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).