N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide

C19H26N2O4 — CID 91954537

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1C1=NOC(C)(C(=O)NCC2(CO)CCCC2)C1
InChIInChI=1S/C19H26N2O4/c1-18(17(23)20-12-19(13-22)9-5-6-10-19)11-15(21-25-18)14-7-3-4-8-16(14)24-2/h3-4,7-8,22H,5-6,9-13H2,1-2H3,(H,20,23)
InChIKeyLGFAKUSXSZEHNF-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.25
Rot. Bonds6

About N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 91954537) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
PubChem CID91954537
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1C1=NOC(C)(C(=O)NCC2(CO)CCCC2)C1
InChIInChI=1S/C19H26N2O4/c1-18(17(23)20-12-19(13-22)9-5-6-10-19)11-15(21-25-18)14-7-3-4-8-16(14)24-2/h3-4,7-8,22H,5-6,9-13H2,1-2H3,(H,20,23)
InChIKeyLGFAKUSXSZEHNF-UHFFFAOYSA-N
XLogP2.25
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-3-(2-methoxyphenyl)-5-methyl-N-prop-2-enyl-4H-1,2-oxazole-5-carboxamide
CID 97465838
(5R)-3-(2-methoxyphenyl)-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide
CID 97465817
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 91954151
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 91946284
(5S)-3-(2-methoxyphenyl)-5-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-4H-1,2-oxazole-5-carboxamide
CID 97465804
(5S)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 7263720
(5R)-N-cyclopropyl-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465820
3-(2-methoxyphenyl)-5-methyl-N-pyridin-2-yl-4H-1,2-oxazole-5-carboxamide
CID 91946159
3-(2-methoxyphenyl)-5-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-4H-1,2-oxazole-5-carboxamide
CID 46977682
N-(1-ethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 91946145
(5S)-N-(1-ethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465780
3-(2-methoxyphenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
CID 91946158

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide (CID 91954537) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide is COc1ccccc1C1=NOC(C)(C(=O)NCC2(CO)CCCC2)C1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is LGFAKUSXSZEHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-18(17(23)20-12-19(13-22)9-5-6-10-19)11-15(21-25-18)14-7-3-4-8-16(14)24-2/h3-4,7-8,22H,5-6,9-13H2,1-2H3,(H,20,23).
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 91954537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).