2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide

C15H21N3O2 — CID 60843076

IUPAC2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
SMILESCC(C)NCC(=O)Nc1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/C15H21N3O2/c1-9(2)15-18-12-7-11(5-6-13(12)20-15)17-14(19)8-16-10(3)4/h5-7,9-10,16H,8H2,1-4H3,(H,17,19)
InChIKeyYZVNBQJTBQAFHJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.89
Rot. Bonds5

About 2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide

2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide (PubChem CID 60843076) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
PubChem CID60843076
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
SMILESCC(C)NCC(=O)Nc1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/C15H21N3O2/c1-9(2)15-18-12-7-11(5-6-13(12)20-15)17-14(19)8-16-10(3)4/h5-7,9-10,16H,8H2,1-4H3,(H,17,19)
InChIKeyYZVNBQJTBQAFHJ-UHFFFAOYSA-N
XLogP2.89
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]benzamide
CID 46416362
2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide
CID 43711177
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 46416382
3-amino-4-oxo-4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 64895304
(2S,3S)-2-amino-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)pentanamide
CID 61179344
N-(2-propan-2-yl-1,3-benzoxazol-6-yl)propanamide
CID 53017044
5-bromo-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 60509237
3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401870
3,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46424516
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide
CID 81257574
1-(3-hydroxypropyl)-1-propan-2-yl-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)urea
CID 138013413
2-(6-chloro-1H-indol-3-yl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
CID 155945110

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide (CID 60843076) is 2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide is CC(C)NCC(=O)Nc1ccc2oc(C(C)C)nc2c1.
What is the InChIKey of 2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is YZVNBQJTBQAFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9(2)15-18-12-7-11(5-6-13(12)20-15)17-14(19)8-16-10(3)4/h5-7,9-10,16H,8H2,1-4H3,(H,17,19).
What are the key properties of 2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide?
2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 60843076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).