N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine

C13H16N2O — CID 103439136

IUPACN-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine
SMILESCC(C)c1nc2cc(NC3CC3)ccc2o1
InChIInChI=1S/C13H16N2O/c1-8(2)13-15-11-7-10(14-9-3-4-9)5-6-12(11)16-13/h5-9,14H,3-4H2,1-2H3
InChIKeyPTSHCRPHSJGITN-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.53
Rot. Bonds3

About N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine

N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine (PubChem CID 103439136) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine
PubChem CID103439136
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine
SMILESCC(C)c1nc2cc(NC3CC3)ccc2o1
InChIInChI=1S/C13H16N2O/c1-8(2)13-15-11-7-10(14-9-3-4-9)5-6-12(11)16-13/h5-9,14H,3-4H2,1-2H3
InChIKeyPTSHCRPHSJGITN-UHFFFAOYSA-N
XLogP3.53
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yl-N-pyrrolidin-3-yl-1,3-benzoxazol-5-amine
CID 79731105
N-(1-methylpyrrolidin-3-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 55140241
N-(3-methoxycyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 106871912
N-(2-bicyclo[2.2.1]heptanyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 63447273
N-(5,5-dimethylthian-3-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 79953807
N-(2,3-dimethylcyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 64762265
N-cyclopentyl-2-methyl-1,3-benzoxazol-5-amine
CID 28675875
4-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1,4-diamine
CID 79724752
N-[1-(1-methylcyclopropyl)ethyl]-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745097
N-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 106633538
N-(3-methylbutyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745087
N-(5-methylhexan-2-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745091

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine?
The IUPAC name of N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine (CID 103439136) is N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine?
The canonical SMILES for N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine is CC(C)c1nc2cc(NC3CC3)ccc2o1.
What is the InChIKey of N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine?
The InChIKey is PTSHCRPHSJGITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8(2)13-15-11-7-10(14-9-3-4-9)5-6-12(11)16-13/h5-9,14H,3-4H2,1-2H3.
What are the key properties of N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine?
N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine has a molecular weight of 216.28 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 103439136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).