5-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,2-oxazol-3-amine

C14H14N4O — CID 117389001

IUPAC5-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,2-oxazol-3-amine
SMILESCn1c(C2CC2)nc2cc(-c3cc(N)no3)ccc21
InChIInChI=1S/C14H14N4O/c1-18-11-5-4-9(12-7-13(15)17-19-12)6-10(11)16-14(18)8-2-3-8/h4-8H,2-3H2,1H3,(H2,15,17)
InChIKeyKFZXAYZDWLGHAK-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.69
Rot. Bonds2

About 5-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,2-oxazol-3-amine

5-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,2-oxazol-3-amine (PubChem CID 117389001) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,2-oxazol-3-amine
PubChem CID117389001
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,2-oxazol-3-amine
SMILESCn1c(C2CC2)nc2cc(-c3cc(N)no3)ccc21
InChIInChI=1S/C14H14N4O/c1-18-11-5-4-9(12-7-13(15)17-19-12)6-10(11)16-14(18)8-2-3-8/h4-8H,2-3H2,1H3,(H2,15,17)
InChIKeyKFZXAYZDWLGHAK-UHFFFAOYSA-N
XLogP2.69
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylpropan-2-amine
CID 82497493
5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,2-oxazol-3-amine
CID 117396570
O-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine
CID 117309592
cyclopentyl-(2-cyclopropyl-1-methylbenzimidazol-5-yl)methanamine
CID 82501979
5-(3-chloro-1-methylindazol-5-yl)-1,2-oxazol-3-amine
CID 117374897
(2-cyclooctyl-1-methylbenzimidazol-5-yl)methanamine
CID 65040386
2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)propanoic acid
CID 82497559
(E)-3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)prop-2-enoic acid
CID 82497233
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110779414
5-(3-chloro-1-methylindazol-6-yl)-1,2-oxazol-3-amine
CID 117374898
4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one
CID 82497246
3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine
CID 96674760

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,2-oxazol-3-amine (CID 117389001) is 5-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,2-oxazol-3-amine is Cn1c(C2CC2)nc2cc(-c3cc(N)no3)ccc21.
What is the InChIKey of 5-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,2-oxazol-3-amine?
The InChIKey is KFZXAYZDWLGHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-18-11-5-4-9(12-7-13(15)17-19-12)6-10(11)16-14(18)8-2-3-8/h4-8H,2-3H2,1H3,(H2,15,17).
What are the key properties of 5-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,2-oxazol-3-amine?
5-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,2-oxazol-3-amine has a molecular weight of 254.29 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117389001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).