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

C14H21N3O3 — CID 67556190

IUPACN-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)N[C@@H](CC1CCCCC1)C(N)=O
InChIInChI=1S/C14H21N3O3/c1-9-11(8-16-20-9)14(19)17-12(13(15)18)7-10-5-3-2-4-6-10/h8,10,12H,2-7H2,1H3,(H2,15,18)(H,17,19)/t12-/m0/s1
InChIKeyKEXJDVVNTXCDPX-LBPRGKRZSA-N
MW279.34 g/mol
LogP1.54
Rot. Bonds5

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

N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 67556190) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID67556190
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)N[C@@H](CC1CCCCC1)C(N)=O
InChIInChI=1S/C14H21N3O3/c1-9-11(8-16-20-9)14(19)17-12(13(15)18)7-10-5-3-2-4-6-10/h8,10,12H,2-7H2,1H3,(H2,15,18)(H,17,19)/t12-/m0/s1
InChIKeyKEXJDVVNTXCDPX-LBPRGKRZSA-N
XLogP1.54
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide (CID 67556190) is N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)N[C@@H](CC1CCCCC1)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is KEXJDVVNTXCDPX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-11(8-16-20-9)14(19)17-12(13(15)18)7-10-5-3-2-4-6-10/h8,10,12H,2-7H2,1H3,(H2,15,18)(H,17,19)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.54, 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-3-cyclohexyl-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 67556190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).