N-[cyclopentyl-[4-fluoro-5-(oxan-4-yl)-1H-benzimidazol-2-yl]methyl]-3-methyl-1,2-oxazole-4-carboxamide

C23H27FN4O3 — CID 149228609

IUPACN-[cyclopentyl-[4-fluoro-5-(oxan-4-yl)-1H-benzimidazol-2-yl]methyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)NC(c1nc2c(F)c(C3CCOCC3)ccc2[nH]1)C1CCCC1
InChIInChI=1S/C23H27FN4O3/c1-13-17(12-31-28-13)23(29)27-20(15-4-2-3-5-15)22-25-18-7-6-16(19(24)21(18)26-22)14-8-10-30-11-9-14/h6-7,12,14-15,20H,2-5,8-11H2,1H3,(H,25,26)(H,27,29)
InChIKeyXJWACMLYPUYBKV-UHFFFAOYSA-N
MW426.49 g/mol
LogP4.55
Rot. Bonds5

About N-[cyclopentyl-[4-fluoro-5-(oxan-4-yl)-1H-benzimidazol-2-yl]methyl]-3-methyl-1,2-oxazole-4-carboxamide

N-[cyclopentyl-[4-fluoro-5-(oxan-4-yl)-1H-benzimidazol-2-yl]methyl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 149228609) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is N-[cyclopentyl-[4-fluoro-5-(oxan-4-yl)-1H-benzimidazol-2-yl]methyl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[cyclopentyl-[4-fluoro-5-(oxan-4-yl)-1H-benzimidazol-2-yl]methyl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID149228609
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC NameN-[cyclopentyl-[4-fluoro-5-(oxan-4-yl)-1H-benzimidazol-2-yl]methyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)NC(c1nc2c(F)c(C3CCOCC3)ccc2[nH]1)C1CCCC1
InChIInChI=1S/C23H27FN4O3/c1-13-17(12-31-28-13)23(29)27-20(15-4-2-3-5-15)22-25-18-7-6-16(19(24)21(18)26-22)14-8-10-30-11-9-14/h6-7,12,14-15,20H,2-5,8-11H2,1H3,(H,25,26)(H,27,29)
InChIKeyXJWACMLYPUYBKV-UHFFFAOYSA-N
XLogP4.55
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[cyclooctyl-[4-fluoro-7-methoxy-5-(oxan-4-yl)-1H-benzimidazol-2-yl]methyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 142620961
N-[cyclooctyl-(4,7-difluoro-1H-benzimidazol-2-yl)methyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 142620847
3-[4-fluoro-2-[(4-methylcyclohexyl)-[(3-methyl-1,2-oxazole-4-carbonyl)amino]methyl]-1H-benzimidazol-5-yl]morpholine-4-carboxylic acid
CID 155315273
3-[4-fluoro-2-[(S)-(4-methylcyclohexyl)-[(3-methyl-1,2-oxazole-4-carbonyl)amino]methyl]-1H-benzimidazol-5-yl]morpholine-4-carboxylic acid
CID 155315272
N-[(S)-cyclopentyl-[4-fluoro-5-[(3S,4S)-4-(morpholine-4-carbonyl)oxolan-3-yl]-1H-benzimidazol-2-yl]methyl]-3-ethyl-1,2-oxazole-4-carboxamide
CID 155315336
N-[cyclooctyl-[4-fluoro-6-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-benzimidazol-2-yl]methyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 142620817
3-cyclooctyl-3-[4-fluoro-7-methoxy-5-(oxan-4-yl)-1H-benzimidazol-2-yl]-1-(3-methyl-1,2-oxazol-4-yl)propan-1-one
CID 159492865
N-[cyclooctyl-[4,7-difluoro-6-(oxan-4-yl)-1H-benzimidazol-2-yl]methyl]-5-methyl-2H-pyrrole-4-carboxamide
CID 142620702
tert-butyl 3-[2-[[(3-ethyl-1,2-oxazole-4-carbonyl)amino]-(4-methylcyclohexyl)methyl]-4-fluoro-1H-benzimidazol-5-yl]morpholine-4-carboxylate
CID 142620873
N-[cyclooctyl-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]methyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 142620519
N-[[6-[(4-acetylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-cyclooctylmethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 155315238
N-[(S)-[5-[4-(azetidine-1-carbonyl)-3-pyridinyl]-4-fluoro-1H-benzimidazol-2-yl]-(4-methylcyclohexyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide;N-[(S)-[5-[4-(3-chloropropylcarbamoyl)-3-pyridinyl]-4-fluoro-1H-benzimidazol-2-yl]-(4-methylcyclohexyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 158053718

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-[4-fluoro-5-(oxan-4-yl)-1H-benzimidazol-2-yl]methyl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[cyclopentyl-[4-fluoro-5-(oxan-4-yl)-1H-benzimidazol-2-yl]methyl]-3-methyl-1,2-oxazole-4-carboxamide (CID 149228609) is N-[cyclopentyl-[4-fluoro-5-(oxan-4-yl)-1H-benzimidazol-2-yl]methyl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[cyclopentyl-[4-fluoro-5-(oxan-4-yl)-1H-benzimidazol-2-yl]methyl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[cyclopentyl-[4-fluoro-5-(oxan-4-yl)-1H-benzimidazol-2-yl]methyl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)NC(c1nc2c(F)c(C3CCOCC3)ccc2[nH]1)C1CCCC1.
What is the InChIKey of N-[cyclopentyl-[4-fluoro-5-(oxan-4-yl)-1H-benzimidazol-2-yl]methyl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is XJWACMLYPUYBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3/c1-13-17(12-31-28-13)23(29)27-20(15-4-2-3-5-15)22-25-18-7-6-16(19(24)21(18)26-22)14-8-10-30-11-9-14/h6-7,12,14-15,20H,2-5,8-11H2,1H3,(H,25,26)(H,27,29).
What are the key properties of N-[cyclopentyl-[4-fluoro-5-(oxan-4-yl)-1H-benzimidazol-2-yl]methyl]-3-methyl-1,2-oxazole-4-carboxamide?
N-[cyclopentyl-[4-fluoro-5-(oxan-4-yl)-1H-benzimidazol-2-yl]methyl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 426.49 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-[4-fluoro-5-(oxan-4-yl)-1H-benzimidazol-2-yl]methyl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 149228609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).