tert-butyl N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl-pyrrol-1-ylamino]-1-oxopropan-2-yl]carbamate

C18H25N5O5 — CID 141448099

IUPACtert-butyl N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl-pyrrol-1-ylamino]-1-oxopropan-2-yl]carbamate
SMILESCc1cc(CNC(=O)N(C(=O)[C@H](C)NC(=O)OC(C)(C)C)n2cccc2)no1
InChIInChI=1S/C18H25N5O5/c1-12-10-14(21-28-12)11-19-16(25)23(22-8-6-7-9-22)15(24)13(2)20-17(26)27-18(3,4)5/h6-10,13H,11H2,1-5H3,(H,19,25)(H,20,26)/t13-/m0/s1
InChIKeyZLLMAHLOROTUHR-ZDUSSCGKSA-N
MW391.43 g/mol
LogP2.07
Rot. Bonds5

About tert-butyl N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl-pyrrol-1-ylamino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl-pyrrol-1-ylamino]-1-oxopropan-2-yl]carbamate (PubChem CID 141448099) has the molecular formula C18H25N5O5 and a molecular weight of 391.43 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl-pyrrol-1-ylamino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl-pyrrol-1-ylamino]-1-oxopropan-2-yl]carbamate
PubChem CID141448099
Molecular FormulaC18H25N5O5
Molecular Weight391.43 g/mol
Exact Mass391.19
IUPAC Nametert-butyl N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl-pyrrol-1-ylamino]-1-oxopropan-2-yl]carbamate
SMILESCc1cc(CNC(=O)N(C(=O)[C@H](C)NC(=O)OC(C)(C)C)n2cccc2)no1
InChIInChI=1S/C18H25N5O5/c1-12-10-14(21-28-12)11-19-16(25)23(22-8-6-7-9-22)15(24)13(2)20-17(26)27-18(3,4)5/h6-10,13H,11H2,1-5H3,(H,19,25)(H,20,26)/t13-/m0/s1
InChIKeyZLLMAHLOROTUHR-ZDUSSCGKSA-N
XLogP2.07
TPSA118.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl-pyrrol-1-ylamino]-1-oxopropan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

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tert-butyl N-[5-methoxy-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentyl]carbamate
CID 103389660
3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
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tert-butyl N-[(2S)-3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]carbamate
CID 110677963
tert-butyl N-[4-methyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1-oxopentan-2-yl]carbamate
CID 87010955
tert-butyl N-[(2S)-3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl]carbamate
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tert-butyl (2R)-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]piperidine-1-carboxylate
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tert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate
CID 139228466
2-amino-3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 76923478
tert-butyl (2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 81004390
tert-butyl N-[(2S)-1-[[(2S)-butan-2-yl]-methylamino]-1-oxopropan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl-pyrrol-1-ylamino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl-pyrrol-1-ylamino]-1-oxopropan-2-yl]carbamate (CID 141448099) is tert-butyl N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl-pyrrol-1-ylamino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl-pyrrol-1-ylamino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl-pyrrol-1-ylamino]-1-oxopropan-2-yl]carbamate is Cc1cc(CNC(=O)N(C(=O)[C@H](C)NC(=O)OC(C)(C)C)n2cccc2)no1.
What is the InChIKey of tert-butyl N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl-pyrrol-1-ylamino]-1-oxopropan-2-yl]carbamate?
The InChIKey is ZLLMAHLOROTUHR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N5O5/c1-12-10-14(21-28-12)11-19-16(25)23(22-8-6-7-9-22)15(24)13(2)20-17(26)27-18(3,4)5/h6-10,13H,11H2,1-5H3,(H,19,25)(H,20,26)/t13-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl-pyrrol-1-ylamino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl-pyrrol-1-ylamino]-1-oxopropan-2-yl]carbamate has a molecular weight of 391.43 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl-pyrrol-1-ylamino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 141448099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).