N-(1-methylcyclobutyl)-1,3-benzoxazol-2-amine

C12H14N2O — CID 115765396

IUPACN-(1-methylcyclobutyl)-1,3-benzoxazol-2-amine
SMILESCC1(Nc2nc3ccccc3o2)CCC1
InChIInChI=1S/C12H14N2O/c1-12(7-4-8-12)14-11-13-9-5-2-3-6-10(9)15-11/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)
InChIKeyNTLUYFJFKYTUJY-UHFFFAOYSA-N
MW202.26 g/mol
LogP3.18
Rot. Bonds2

About N-(1-methylcyclobutyl)-1,3-benzoxazol-2-amine

N-(1-methylcyclobutyl)-1,3-benzoxazol-2-amine (PubChem CID 115765396) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is N-(1-methylcyclobutyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(1-methylcyclobutyl)-1,3-benzoxazol-2-amine
PubChem CID115765396
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC NameN-(1-methylcyclobutyl)-1,3-benzoxazol-2-amine
SMILESCC1(Nc2nc3ccccc3o2)CCC1
InChIInChI=1S/C12H14N2O/c1-12(7-4-8-12)14-11-13-9-5-2-3-6-10(9)15-11/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)
InChIKeyNTLUYFJFKYTUJY-UHFFFAOYSA-N
XLogP3.18
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(1-methylcyclopentyl)-1,3-benzoxazole-2,5-diamine
CID 79890493
N-[(1-methylcyclohexyl)methyl]-1,3-benzoxazol-2-amine
CID 114095046
2-[(1-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid
CID 116690826
1-[(1,3-benzoxazol-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol
CID 65118611
N-[(3,3-difluoro-1-methylpyrrolidin-2-yl)methyl]-1,3-benzoxazol-2-amine
CID 166810447
N-propyl-1,3-benzoxazol-2-amine
CID 584386
N-(2,5-dimethylpyrrol-1-yl)-1,3-benzoxazol-2-amine
CID 79106270
N-(1,3-benzoxazol-2-ylamino)formamide
CID 15893148
N-(2,2-dimethyloxan-4-yl)-1,3-benzoxazol-2-amine
CID 115563724
methyl 1-(1,3-benzoxazol-2-yl)cyclobutane-1-carboxylate
CID 116999937
N-(2-cyclopropylpropan-2-yl)-1,3-benzoxazol-2-amine
CID 103703598
N-[(Z)-[(3E)-3-(1,3-benzoxazol-2-ylhydrazinylidene)butan-2-ylidene]amino]-1,3-benzoxazol-2-amine
CID 171038353

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclobutyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(1-methylcyclobutyl)-1,3-benzoxazol-2-amine (CID 115765396) is N-(1-methylcyclobutyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(1-methylcyclobutyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(1-methylcyclobutyl)-1,3-benzoxazol-2-amine is CC1(Nc2nc3ccccc3o2)CCC1.
What is the InChIKey of N-(1-methylcyclobutyl)-1,3-benzoxazol-2-amine?
The InChIKey is NTLUYFJFKYTUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-12(7-4-8-12)14-11-13-9-5-2-3-6-10(9)15-11/h2-3,5-6H,4,7-8H2,1H3,(H,13,14).
What are the key properties of N-(1-methylcyclobutyl)-1,3-benzoxazol-2-amine?
N-(1-methylcyclobutyl)-1,3-benzoxazol-2-amine has a molecular weight of 202.26 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclobutyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 115765396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).