5-cyclopropyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,3-oxazole-4-carboxamide

C18H20N4O2 — CID 118767443

IUPAC5-cyclopropyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,3-oxazole-4-carboxamide
SMILESCn1c(CCCNC(=O)c2ncoc2C2CC2)nc2ccccc21
InChIInChI=1S/C18H20N4O2/c1-22-14-6-3-2-5-13(14)21-15(22)7-4-10-19-18(23)16-17(12-8-9-12)24-11-20-16/h2-3,5-6,11-12H,4,7-10H2,1H3,(H,19,23)
InChIKeyHDUSNNNOBDDIKG-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.80
Rot. Bonds6

About 5-cyclopropyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,3-oxazole-4-carboxamide

5-cyclopropyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,3-oxazole-4-carboxamide (PubChem CID 118767443) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-cyclopropyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,3-oxazole-4-carboxamide
PubChem CID118767443
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name5-cyclopropyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,3-oxazole-4-carboxamide
SMILESCn1c(CCCNC(=O)c2ncoc2C2CC2)nc2ccccc21
InChIInChI=1S/C18H20N4O2/c1-22-14-6-3-2-5-13(14)21-15(22)7-4-10-19-18(23)16-17(12-8-9-12)24-11-20-16/h2-3,5-6,11-12H,4,7-10H2,1H3,(H,19,23)
InChIKeyHDUSNNNOBDDIKG-UHFFFAOYSA-N
XLogP2.80
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981769
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 119889963
N-[3-(1-methylbenzimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 56792618
3-bromo-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16983297
2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16982503
3-amino-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide
CID 91769490
N-cyclopentyl-2-[3-(1-methylbenzimidazol-2-yl)propylamino]propanamide
CID 50951475
1-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 50970727
N-[3-(1-methylbenzimidazol-2-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 134126384
N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide
CID 56792616
N-[3-(1-methylbenzimidazol-2-yl)propyl]-1-propanoylpiperidine-3-carboxamide
CID 72904958
(2R,4S)-4-hydroxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-2-carboxamide
CID 124697255

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,3-oxazole-4-carboxamide (CID 118767443) is 5-cyclopropyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,3-oxazole-4-carboxamide is Cn1c(CCCNC(=O)c2ncoc2C2CC2)nc2ccccc21.
What is the InChIKey of 5-cyclopropyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,3-oxazole-4-carboxamide?
The InChIKey is HDUSNNNOBDDIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-22-14-6-3-2-5-13(14)21-15(22)7-4-10-19-18(23)16-17(12-8-9-12)24-11-20-16/h2-3,5-6,11-12H,4,7-10H2,1H3,(H,19,23).
What are the key properties of 5-cyclopropyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,3-oxazole-4-carboxamide?
5-cyclopropyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,3-oxazole-4-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118767443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).