2-(1,3-benzoxazol-2-ylamino)-N-tert-butylacetamide

C13H17N3O2 — CID 36581358

IUPAC2-(1,3-benzoxazol-2-ylamino)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNc1nc2ccccc2o1
InChIInChI=1S/C13H17N3O2/c1-13(2,3)16-11(17)8-14-12-15-9-6-4-5-7-10(9)18-12/h4-7H,8H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyLSBPHMJRUKPGHM-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.15
Rot. Bonds3

About 2-(1,3-benzoxazol-2-ylamino)-N-tert-butylacetamide

2-(1,3-benzoxazol-2-ylamino)-N-tert-butylacetamide (PubChem CID 36581358) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylamino)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylamino)-N-tert-butylacetamide
PubChem CID36581358
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-(1,3-benzoxazol-2-ylamino)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNc1nc2ccccc2o1
InChIInChI=1S/C13H17N3O2/c1-13(2,3)16-11(17)8-14-12-15-9-6-4-5-7-10(9)18-12/h4-7H,8H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyLSBPHMJRUKPGHM-UHFFFAOYSA-N
XLogP2.15
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzoxazol-2-ylamino)-N,N-dimethylacetamide
CID 60707856
N-tert-butyl-2-[(6-nitro-1,3-benzoxazol-2-yl)amino]acetamide
CID 115356783
N-tert-butyl-2-[(5-nitro-1,3-benzoxazol-2-yl)amino]acetamide
CID 115356784
4-(1,3-benzoxazol-2-ylamino)-2,2-dimethylbutanoic acid
CID 114285537
1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol
CID 63118851
methyl 3-(1,3-benzoxazol-2-ylamino)propanoate
CID 47277708
tert-butyl 4-[(1,3-benzoxazol-2-ylamino)methyl]piperidine-1-carboxylate
CID 71630205
3-(1,3-benzoxazol-2-ylamino)-N,N-dimethylpropanamide
CID 47281823
3-(1,3-benzoxazol-2-ylamino)-2-methoxypropanoic acid
CID 106108341
N-propyl-1,3-benzoxazol-2-amine
CID 584386
2-(1,3-benzoxazol-2-ylamino)-2-methylpropan-1-ol
CID 60969632
2-[2-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]acetic acid
CID 81313394

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-N-tert-butylacetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-N-tert-butylacetamide (CID 36581358) is 2-(1,3-benzoxazol-2-ylamino)-N-tert-butylacetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylamino)-N-tert-butylacetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylamino)-N-tert-butylacetamide is CC(C)(C)NC(=O)CNc1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylamino)-N-tert-butylacetamide?
The InChIKey is LSBPHMJRUKPGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2,3)16-11(17)8-14-12-15-9-6-4-5-7-10(9)18-12/h4-7H,8H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-(1,3-benzoxazol-2-ylamino)-N-tert-butylacetamide?
2-(1,3-benzoxazol-2-ylamino)-N-tert-butylacetamide has a molecular weight of 247.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylamino)-N-tert-butylacetamide is sourced from PubChem (CID 36581358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).