3,5-dimethyl-N-[4-[(1S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-1,2-oxazole-4-carboxamide

C22H29N3O2 — CID 54598302

IUPAC3,5-dimethyl-N-[4-[(1S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc([C@H]2CCC(N3CCC[C@@H]3C)C2)cc1
InChIInChI=1S/C22H29N3O2/c1-14-5-4-12-25(14)20-11-8-18(13-20)17-6-9-19(10-7-17)23-22(26)21-15(2)24-27-16(21)3/h6-7,9-10,14,18,20H,4-5,8,11-13H2,1-3H3,(H,23,26)/t14-,18-,20?/m0/s1
InChIKeyDSAADXYWDVRNFP-KEXXGOCASA-N
MW367.49 g/mol
LogP4.66
Rot. Bonds4

About 3,5-dimethyl-N-[4-[(1S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[4-[(1S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 54598302) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3,5-dimethyl-N-[4-[(1S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[4-[(1S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-1,2-oxazole-4-carboxamide
PubChem CID54598302
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name3,5-dimethyl-N-[4-[(1S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc([C@H]2CCC(N3CCC[C@@H]3C)C2)cc1
InChIInChI=1S/C22H29N3O2/c1-14-5-4-12-25(14)20-11-8-18(13-20)17-6-9-19(10-7-17)23-22(26)21-15(2)24-27-16(21)3/h6-7,9-10,14,18,20H,4-5,8,11-13H2,1-3H3,(H,23,26)/t14-,18-,20?/m0/s1
InChIKeyDSAADXYWDVRNFP-KEXXGOCASA-N
XLogP4.66
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[4-[(1S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[4-[(1S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-1,2-oxazole-4-carboxamide (CID 54598302) is 3,5-dimethyl-N-[4-[(1S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[4-[(1S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[4-[(1S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1ccc([C@H]2CCC(N3CCC[C@@H]3C)C2)cc1.
What is the InChIKey of 3,5-dimethyl-N-[4-[(1S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is DSAADXYWDVRNFP-KEXXGOCASA-N. The full InChI is InChI=1S/C22H29N3O2/c1-14-5-4-12-25(14)20-11-8-18(13-20)17-6-9-19(10-7-17)23-22(26)21-15(2)24-27-16(21)3/h6-7,9-10,14,18,20H,4-5,8,11-13H2,1-3H3,(H,23,26)/t14-,18-,20?/m0/s1.
What are the key properties of 3,5-dimethyl-N-[4-[(1S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[4-[(1S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[4-[(1S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 54598302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).