(5R)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H20N4O3 — CID 95195216

IUPAC(5R)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccccc1-c1noc(CNC(=O)[C@H]2CC(C(C)C)=NO2)n1
InChIInChI=1S/C17H20N4O3/c1-10(2)13-8-14(23-20-13)17(22)18-9-15-19-16(21-24-15)12-7-5-4-6-11(12)3/h4-7,10,14H,8-9H2,1-3H3,(H,18,22)/t14-/m1/s1
InChIKeyUMQRAXLLBVIURB-CQSZACIVSA-N
MW328.37 g/mol
LogP2.46
Rot. Bonds5

About (5R)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

(5R)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 95195216) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (5R)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID95195216
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(5R)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccccc1-c1noc(CNC(=O)[C@H]2CC(C(C)C)=NO2)n1
InChIInChI=1S/C17H20N4O3/c1-10(2)13-8-14(23-20-13)17(22)18-9-15-19-16(21-24-15)12-7-5-4-6-11(12)3/h4-7,10,14H,8-9H2,1-3H3,(H,18,22)/t14-/m1/s1
InChIKeyUMQRAXLLBVIURB-CQSZACIVSA-N
XLogP2.46
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

phenyl N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
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2-(3-bromophenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
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1-methyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea
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3-(2,6-dichlorophenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 100604654
3-(2-methylphenyl)-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
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CID 38137812
N-[(5-methoxy-1H-indol-2-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 131952288
2-methyl-N-[4-methyl-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of (5R)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 95195216) is (5R)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1ccccc1-c1noc(CNC(=O)[C@H]2CC(C(C)C)=NO2)n1.
What is the InChIKey of (5R)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is UMQRAXLLBVIURB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-10(2)13-8-14(23-20-13)17(22)18-9-15-19-16(21-24-15)12-7-5-4-6-11(12)3/h4-7,10,14H,8-9H2,1-3H3,(H,18,22)/t14-/m1/s1.
What are the key properties of (5R)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 95195216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).