N-[1-(1-methylcyclopropyl)ethyl]-2-propan-2-yl-1,3-benzoxazol-5-amine

C16H22N2O — CID 43745097

IUPACN-[1-(1-methylcyclopropyl)ethyl]-2-propan-2-yl-1,3-benzoxazol-5-amine
SMILESCC(C)c1nc2cc(NC(C)C3(C)CC3)ccc2o1
InChIInChI=1S/C16H22N2O/c1-10(2)15-18-13-9-12(5-6-14(13)19-15)17-11(3)16(4)7-8-16/h5-6,9-11,17H,7-8H2,1-4H3
InChIKeyZGMJLYAPHGDIAU-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.55
Rot. Bonds4

About N-[1-(1-methylcyclopropyl)ethyl]-2-propan-2-yl-1,3-benzoxazol-5-amine

N-[1-(1-methylcyclopropyl)ethyl]-2-propan-2-yl-1,3-benzoxazol-5-amine (PubChem CID 43745097) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[1-(1-methylcyclopropyl)ethyl]-2-propan-2-yl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-[1-(1-methylcyclopropyl)ethyl]-2-propan-2-yl-1,3-benzoxazol-5-amine
PubChem CID43745097
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[1-(1-methylcyclopropyl)ethyl]-2-propan-2-yl-1,3-benzoxazol-5-amine
SMILESCC(C)c1nc2cc(NC(C)C3(C)CC3)ccc2o1
InChIInChI=1S/C16H22N2O/c1-10(2)15-18-13-9-12(5-6-14(13)19-15)17-11(3)16(4)7-8-16/h5-6,9-11,17H,7-8H2,1-4H3
InChIKeyZGMJLYAPHGDIAU-UHFFFAOYSA-N
XLogP4.55
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methylhexan-2-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745091
N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 103439136
(2R)-N-carbamoyl-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide
CID 34339582
2-propan-2-yl-N-(1-pyridin-3-ylethyl)-1,3-benzoxazol-5-amine
CID 43745111
N-octan-2-yl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745099
N-(3-methylbutyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745087
N-(5,5-dimethylthian-3-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 79953807
N-(2-bicyclo[2.2.1]heptanyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 63447273
2-propan-2-yl-N-pyrrolidin-3-yl-1,3-benzoxazol-5-amine
CID 79731105
N-heptyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745098
2-propan-2-yl-1,3-benzoxazole-5-thiol
CID 138604621
N-(2,3-dimethylcyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 64762265

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-2-propan-2-yl-1,3-benzoxazol-5-amine?
The IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-2-propan-2-yl-1,3-benzoxazol-5-amine (CID 43745097) is N-[1-(1-methylcyclopropyl)ethyl]-2-propan-2-yl-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-[1-(1-methylcyclopropyl)ethyl]-2-propan-2-yl-1,3-benzoxazol-5-amine?
The canonical SMILES for N-[1-(1-methylcyclopropyl)ethyl]-2-propan-2-yl-1,3-benzoxazol-5-amine is CC(C)c1nc2cc(NC(C)C3(C)CC3)ccc2o1.
What is the InChIKey of N-[1-(1-methylcyclopropyl)ethyl]-2-propan-2-yl-1,3-benzoxazol-5-amine?
The InChIKey is ZGMJLYAPHGDIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-10(2)15-18-13-9-12(5-6-14(13)19-15)17-11(3)16(4)7-8-16/h5-6,9-11,17H,7-8H2,1-4H3.
What are the key properties of N-[1-(1-methylcyclopropyl)ethyl]-2-propan-2-yl-1,3-benzoxazol-5-amine?
N-[1-(1-methylcyclopropyl)ethyl]-2-propan-2-yl-1,3-benzoxazol-5-amine has a molecular weight of 258.36 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylcyclopropyl)ethyl]-2-propan-2-yl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 43745097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).