2-cyclopropyl-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-benzoxazole-6-carboxamide

C17H18N4O2 — CID 42289150

IUPAC2-cyclopropyl-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-benzoxazole-6-carboxamide
SMILESCc1cnc(CCNC(=O)c2ccc3nc(C4CC4)oc3c2)[nH]1
InChIInChI=1S/C17H18N4O2/c1-10-9-19-15(20-10)6-7-18-16(22)12-4-5-13-14(8-12)23-17(21-13)11-2-3-11/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,18,22)(H,19,20)
InChIKeyIDFLTZGTUOAEKI-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.71
Rot. Bonds5

About 2-cyclopropyl-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-benzoxazole-6-carboxamide

2-cyclopropyl-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-benzoxazole-6-carboxamide (PubChem CID 42289150) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-benzoxazole-6-carboxamide
PubChem CID42289150
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-cyclopropyl-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-benzoxazole-6-carboxamide
SMILESCc1cnc(CCNC(=O)c2ccc3nc(C4CC4)oc3c2)[nH]1
InChIInChI=1S/C17H18N4O2/c1-10-9-19-15(20-10)6-7-18-16(22)12-4-5-13-14(8-12)23-17(21-13)11-2-3-11/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,18,22)(H,19,20)
InChIKeyIDFLTZGTUOAEKI-UHFFFAOYSA-N
XLogP2.71
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyclohexyl-1,3-benzoxazole-6-carboxamide
CID 42596394
2-cyclopropyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 25454808
2-cyclopropyl-N-(2-imidazol-1-ylethyl)-1,3-benzoxazole-6-carboxamide
CID 25278720
2-cyclopropyl-N-(pyrimidin-4-ylmethyl)-1,3-benzoxazole-6-carboxamide
CID 26318348
2-cyclohexyl-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1,3-benzoxazole-6-carboxamide
CID 72859517
2-cyclohexyl-N-(3-pyrazol-1-ylpropyl)-1,3-benzoxazole-6-carboxamide
CID 25382694
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide
CID 42528796
2-cyclohexyl-1,3-benzoxazole-6-carboxylic acid
CID 66771669
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-(methylamino)acetamide
CID 83627413
2-cyclohexyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide
CID 42195933
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765255

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-benzoxazole-6-carboxamide (CID 42289150) is 2-cyclopropyl-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-benzoxazole-6-carboxamide is Cc1cnc(CCNC(=O)c2ccc3nc(C4CC4)oc3c2)[nH]1.
What is the InChIKey of 2-cyclopropyl-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-benzoxazole-6-carboxamide?
The InChIKey is IDFLTZGTUOAEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-10-9-19-15(20-10)6-7-18-16(22)12-4-5-13-14(8-12)23-17(21-13)11-2-3-11/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,18,22)(H,19,20).
What are the key properties of 2-cyclopropyl-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-benzoxazole-6-carboxamide?
2-cyclopropyl-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-benzoxazole-6-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 42289150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).