2-(cyclopropylmethyl)-4-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]-1,3-oxazole-5-carboxamide

C16H24N2O3 — CID 124850902

IUPAC2-(cyclopropylmethyl)-4-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(CC2CC2)oc1C(=O)N[C@@H](C)C1CCOCC1
InChIInChI=1S/C16H24N2O3/c1-10(13-5-7-20-8-6-13)18-16(19)15-11(2)17-14(21-15)9-12-3-4-12/h10,12-13H,3-9H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeyRGZGASLYIVXLCQ-JTQLQIEISA-N
MW292.38 g/mol
LogP2.48
Rot. Bonds5

About 2-(cyclopropylmethyl)-4-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]-1,3-oxazole-5-carboxamide

2-(cyclopropylmethyl)-4-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]-1,3-oxazole-5-carboxamide (PubChem CID 124850902) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-4-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-4-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]-1,3-oxazole-5-carboxamide
PubChem CID124850902
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(cyclopropylmethyl)-4-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(CC2CC2)oc1C(=O)N[C@@H](C)C1CCOCC1
InChIInChI=1S/C16H24N2O3/c1-10(13-5-7-20-8-6-13)18-16(19)15-11(2)17-14(21-15)9-12-3-4-12/h10,12-13H,3-9H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeyRGZGASLYIVXLCQ-JTQLQIEISA-N
XLogP2.48
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-Ethyl-4-methyl-1,3-oxazol-5-yl)carbonyl]-2-(4-methylpentyl)morpholine
CID 45230778
(4S)-4-{[(2,4-dimethyl-1,3-oxazol-5-yl)carbonyl]amino}-N-ethyl-1-(tetrahydro-2H-pyran-4-yl)-L-prolinamide
CID 74230533
2,4-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 77084474
2,4-dimethyl-N-(2-piperidin-1-ylethyl)-1,3-oxazole-5-carboxamide
CID 77092028
Ethyl 4-{[(2,4-dimethyl-1,3-oxazol-5-yl)carbonyl]amino}piperidine-1-carboxylate
CID 77094000
N-cyclopentyl-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026185
2-ethyl-4-methyl-N-[(3S)-oxolan-3-yl]-1,3-oxazole-5-carboxamide
CID 95132413
methyl (3S)-3-cyclohexyl-3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate
CID 95934024
2-ethyl-4-methyl-N-[(2S)-2-propoxypropyl]-1,3-oxazole-5-carboxamide
CID 97922796
2,4-dimethyl-N-[(2-propan-2-yloxolan-3-yl)methyl]-1,3-oxazole-5-carboxamide
CID 119039124
ethyl 4-[(1S)-1-[[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]amino]ethyl]piperidine-1-carboxylate
CID 124847548
(4-Cyclobutyloxypiperidin-1-yl)-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methanone
CID 128767551

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-4-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-(cyclopropylmethyl)-4-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]-1,3-oxazole-5-carboxamide (CID 124850902) is 2-(cyclopropylmethyl)-4-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethyl)-4-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-(cyclopropylmethyl)-4-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]-1,3-oxazole-5-carboxamide is Cc1nc(CC2CC2)oc1C(=O)N[C@@H](C)C1CCOCC1.
What is the InChIKey of 2-(cyclopropylmethyl)-4-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]-1,3-oxazole-5-carboxamide?
The InChIKey is RGZGASLYIVXLCQ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H24N2O3/c1-10(13-5-7-20-8-6-13)18-16(19)15-11(2)17-14(21-15)9-12-3-4-12/h10,12-13H,3-9H2,1-2H3,(H,18,19)/t10-/m0/s1.
What are the key properties of 2-(cyclopropylmethyl)-4-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]-1,3-oxazole-5-carboxamide?
2-(cyclopropylmethyl)-4-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]-1,3-oxazole-5-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-4-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 124850902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).