N-[(2S)-1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide

C16H18ClN3O3 — CID 97085555

IUPACN-[(2S)-1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)N[C@](C)(C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O3/c1-9(2)13-12(19-8-23-13)14(21)20-16(3,15(18)22)10-5-4-6-11(17)7-10/h4-9H,1-3H3,(H2,18,22)(H,20,21)/t16-/m0/s1
InChIKeyXNCGTSTYHOZRJB-INIZCTEOSA-N
MW335.79 g/mol
LogP2.58
Rot. Bonds5

About N-[(2S)-1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide

N-[(2S)-1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 97085555) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is N-[(2S)-1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID97085555
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC NameN-[(2S)-1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)N[C@](C)(C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O3/c1-9(2)13-12(19-8-23-13)14(21)20-16(3,15(18)22)10-5-4-6-11(17)7-10/h4-9H,1-3H3,(H2,18,22)(H,20,21)/t16-/m0/s1
InChIKeyXNCGTSTYHOZRJB-INIZCTEOSA-N
XLogP2.58
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide (CID 97085555) is N-[(2S)-1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide is CC(C)c1ocnc1C(=O)N[C@](C)(C(N)=O)c1cccc(Cl)c1.
What is the InChIKey of N-[(2S)-1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is XNCGTSTYHOZRJB-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-9(2)13-12(19-8-23-13)14(21)20-16(3,15(18)22)10-5-4-6-11(17)7-10/h4-9H,1-3H3,(H2,18,22)(H,20,21)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
N-[(2S)-1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 335.79 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 97085555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).