2-propan-2-yl-N-(1-pyridin-3-ylethyl)-1,3-benzoxazol-5-amine

C17H19N3O — CID 43745111

IUPAC2-propan-2-yl-N-(1-pyridin-3-ylethyl)-1,3-benzoxazol-5-amine
SMILESCC(C)c1nc2cc(NC(C)c3cccnc3)ccc2o1
InChIInChI=1S/C17H19N3O/c1-11(2)17-20-15-9-14(6-7-16(15)21-17)19-12(3)13-5-4-8-18-10-13/h4-12,19H,1-3H3
InChIKeyDNFYTPUYQZWZLV-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.52
Rot. Bonds4

About 2-propan-2-yl-N-(1-pyridin-3-ylethyl)-1,3-benzoxazol-5-amine

2-propan-2-yl-N-(1-pyridin-3-ylethyl)-1,3-benzoxazol-5-amine (PubChem CID 43745111) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-propan-2-yl-N-(1-pyridin-3-ylethyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-propan-2-yl-N-(1-pyridin-3-ylethyl)-1,3-benzoxazol-5-amine
PubChem CID43745111
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-propan-2-yl-N-(1-pyridin-3-ylethyl)-1,3-benzoxazol-5-amine
SMILESCC(C)c1nc2cc(NC(C)c3cccnc3)ccc2o1
InChIInChI=1S/C17H19N3O/c1-11(2)17-20-15-9-14(6-7-16(15)21-17)19-12(3)13-5-4-8-18-10-13/h4-12,19H,1-3H3
InChIKeyDNFYTPUYQZWZLV-UHFFFAOYSA-N
XLogP4.52
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methylhexan-2-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745091
(2R)-N-carbamoyl-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide
CID 34339582
N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 103439136
3-N,3-N,4-trimethyl-1-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine
CID 115377049
N-octan-2-yl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745099
3,4,5-trifluoro-N-(1-pyridin-3-ylethyl)aniline
CID 62810175
N-(3-methylbutyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745087
3-fluoro-4-methoxy-N-(1-pyridin-3-ylethyl)aniline
CID 43380580
5-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazole
CID 84678196
1-propan-2-yl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]urea
CID 156770187
2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine
CID 23540784
N-[(3-methylimidazol-4-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 66118117

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-(1-pyridin-3-ylethyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-propan-2-yl-N-(1-pyridin-3-ylethyl)-1,3-benzoxazol-5-amine (CID 43745111) is 2-propan-2-yl-N-(1-pyridin-3-ylethyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-propan-2-yl-N-(1-pyridin-3-ylethyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-propan-2-yl-N-(1-pyridin-3-ylethyl)-1,3-benzoxazol-5-amine is CC(C)c1nc2cc(NC(C)c3cccnc3)ccc2o1.
What is the InChIKey of 2-propan-2-yl-N-(1-pyridin-3-ylethyl)-1,3-benzoxazol-5-amine?
The InChIKey is DNFYTPUYQZWZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11(2)17-20-15-9-14(6-7-16(15)21-17)19-12(3)13-5-4-8-18-10-13/h4-12,19H,1-3H3.
What are the key properties of 2-propan-2-yl-N-(1-pyridin-3-ylethyl)-1,3-benzoxazol-5-amine?
2-propan-2-yl-N-(1-pyridin-3-ylethyl)-1,3-benzoxazol-5-amine has a molecular weight of 281.36 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-(1-pyridin-3-ylethyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 43745111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).