(5S)-N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C14H23N5O2 — CID 95199587

IUPAC(5S)-N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)C1=NO[C@H](C(=O)N(C)Cc2nncn2C(C)C)C1
InChIInChI=1S/C14H23N5O2/c1-9(2)11-6-12(21-17-11)14(20)18(5)7-13-16-15-8-19(13)10(3)4/h8-10,12H,6-7H2,1-5H3/t12-/m0/s1
InChIKeyJFBUJMQDOGZOCT-LBPRGKRZSA-N
MW293.37 g/mol
LogP1.62
Rot. Bonds5

About (5S)-N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

(5S)-N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 95199587) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (5S)-N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID95199587
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name(5S)-N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)C1=NO[C@H](C(=O)N(C)Cc2nncn2C(C)C)C1
InChIInChI=1S/C14H23N5O2/c1-9(2)11-6-12(21-17-11)14(20)18(5)7-13-16-15-8-19(13)10(3)4/h8-10,12H,6-7H2,1-5H3/t12-/m0/s1
InChIKeyJFBUJMQDOGZOCT-LBPRGKRZSA-N
XLogP1.62
TPSA72.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5S)-N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 95199587) is (5S)-N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is CC(C)C1=NO[C@H](C(=O)N(C)Cc2nncn2C(C)C)C1.
What is the InChIKey of (5S)-N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is JFBUJMQDOGZOCT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-9(2)11-6-12(21-17-11)14(20)18(5)7-13-16-15-8-19(13)10(3)4/h8-10,12H,6-7H2,1-5H3/t12-/m0/s1.
What are the key properties of (5S)-N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 95199587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).