(5R)-N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C20H24N4O3 — CID 51498169

IUPAC(5R)-N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(C2(NC(=O)[C@H]3CC(c4cnn(C)c4)=NO3)CCCC2)c1
InChIInChI=1S/C20H24N4O3/c1-24-13-14(12-21-24)17-11-18(27-23-17)19(25)22-20(8-3-4-9-20)15-6-5-7-16(10-15)26-2/h5-7,10,12-13,18H,3-4,8-9,11H2,1-2H3,(H,22,25)/t18-/m1/s1
InChIKeyMHFGPUCYLLXMNM-GOSISDBHSA-N
MW368.44 g/mol
LogP2.51
Rot. Bonds5

About (5R)-N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

(5R)-N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 51498169) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is (5R)-N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID51498169
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name(5R)-N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(C2(NC(=O)[C@H]3CC(c4cnn(C)c4)=NO3)CCCC2)c1
InChIInChI=1S/C20H24N4O3/c1-24-13-14(12-21-24)17-11-18(27-23-17)19(25)22-20(8-3-4-9-20)15-6-5-7-16(10-15)26-2/h5-7,10,12-13,18H,3-4,8-9,11H2,1-2H3,(H,22,25)/t18-/m1/s1
InChIKeyMHFGPUCYLLXMNM-GOSISDBHSA-N
XLogP2.51
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 51498169) is (5R)-N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1cccc(C2(NC(=O)[C@H]3CC(c4cnn(C)c4)=NO3)CCCC2)c1.
What is the InChIKey of (5R)-N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is MHFGPUCYLLXMNM-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-24-13-14(12-21-24)17-11-18(27-23-17)19(25)22-20(8-3-4-9-20)15-6-5-7-16(10-15)26-2/h5-7,10,12-13,18H,3-4,8-9,11H2,1-2H3,(H,22,25)/t18-/m1/s1.
What are the key properties of (5R)-N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 51498169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).