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

C14H19N3O — CID 79731105

IUPAC2-propan-2-yl-N-pyrrolidin-3-yl-1,3-benzoxazol-5-amine
SMILESCC(C)c1nc2cc(NC3CCNC3)ccc2o1
InChIInChI=1S/C14H19N3O/c1-9(2)14-17-12-7-10(3-4-13(12)18-14)16-11-5-6-15-8-11/h3-4,7,9,11,15-16H,5-6,8H2,1-2H3
InChIKeyQWXTWFXECCQNDP-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.72
Rot. Bonds3

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

2-propan-2-yl-N-pyrrolidin-3-yl-1,3-benzoxazol-5-amine (PubChem CID 79731105) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-propan-2-yl-N-pyrrolidin-3-yl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-propan-2-yl-N-pyrrolidin-3-yl-1,3-benzoxazol-5-amine
PubChem CID79731105
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-propan-2-yl-N-pyrrolidin-3-yl-1,3-benzoxazol-5-amine
SMILESCC(C)c1nc2cc(NC3CCNC3)ccc2o1
InChIInChI=1S/C14H19N3O/c1-9(2)14-17-12-7-10(3-4-13(12)18-14)16-11-5-6-15-8-11/h3-4,7,9,11,15-16H,5-6,8H2,1-2H3
InChIKeyQWXTWFXECCQNDP-UHFFFAOYSA-N
XLogP2.72
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 103439136
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-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 106633538
5-piperidin-4-yloxy-2-propan-2-yl-1,3-benzoxazole
CID 117098143
N-[1-(1-methylcyclopropyl)ethyl]-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745097
5-(piperidin-3-ylmethoxy)-2-propan-2-yl-1,3-benzoxazole
CID 117098151
N-(5-methylhexan-2-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745091
N-(3-methylbutyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745087

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-pyrrolidin-3-yl-1,3-benzoxazol-5-amine?
The IUPAC name of 2-propan-2-yl-N-pyrrolidin-3-yl-1,3-benzoxazol-5-amine (CID 79731105) is 2-propan-2-yl-N-pyrrolidin-3-yl-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-propan-2-yl-N-pyrrolidin-3-yl-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-propan-2-yl-N-pyrrolidin-3-yl-1,3-benzoxazol-5-amine is CC(C)c1nc2cc(NC3CCNC3)ccc2o1.
What is the InChIKey of 2-propan-2-yl-N-pyrrolidin-3-yl-1,3-benzoxazol-5-amine?
The InChIKey is QWXTWFXECCQNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9(2)14-17-12-7-10(3-4-13(12)18-14)16-11-5-6-15-8-11/h3-4,7,9,11,15-16H,5-6,8H2,1-2H3.
What are the key properties of 2-propan-2-yl-N-pyrrolidin-3-yl-1,3-benzoxazol-5-amine?
2-propan-2-yl-N-pyrrolidin-3-yl-1,3-benzoxazol-5-amine has a molecular weight of 245.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-pyrrolidin-3-yl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 79731105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).