2-[(5-amino-1,3-benzoxazol-2-yl)amino]-N-propylacetamide

C12H16N4O2 — CID 79885020

IUPAC2-[(5-amino-1,3-benzoxazol-2-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc2cc(N)ccc2o1
InChIInChI=1S/C12H16N4O2/c1-2-5-14-11(17)7-15-12-16-9-6-8(13)3-4-10(9)18-12/h3-4,6H,2,5,7,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyCGFFDTFPVDGCOY-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.35
Rot. Bonds5

About 2-[(5-amino-1,3-benzoxazol-2-yl)amino]-N-propylacetamide

2-[(5-amino-1,3-benzoxazol-2-yl)amino]-N-propylacetamide (PubChem CID 79885020) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-[(5-amino-1,3-benzoxazol-2-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3-benzoxazol-2-yl)amino]-N-propylacetamide
PubChem CID79885020
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-[(5-amino-1,3-benzoxazol-2-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc2cc(N)ccc2o1
InChIInChI=1S/C12H16N4O2/c1-2-5-14-11(17)7-15-12-16-9-6-8(13)3-4-10(9)18-12/h3-4,6H,2,5,7,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyCGFFDTFPVDGCOY-UHFFFAOYSA-N
XLogP1.35
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4-amino-1,3-benzoxazol-2-yl)amino]-N-propylacetamide
CID 79891169
2-[(6-amino-1,3-benzoxazol-2-yl)amino]-N-propan-2-ylacetamide
CID 79890029
N-[2-[(5-amino-1,3-benzoxazol-2-yl)amino]ethyl]methanesulfonamide
CID 79885842
6-[(5-amino-1,3-benzoxazol-2-yl)amino]hexan-1-ol
CID 107844096
2-[(5-amino-1,3-benzoxazol-2-yl)sulfinyl]-N-butylacetamide
CID 61486090
2-N-[(3-methylcyclopentyl)methyl]-1,3-benzoxazole-2,5-diamine
CID 107411287
2-[(5-amino-1,3-benzoxazol-2-yl)amino]propanamide
CID 79885752
2-[(6-amino-1,3-benzoxazol-2-yl)amino]ethylurea
CID 83116991
3-[(5-amino-1,3-benzoxazol-2-yl)amino]-2,2-difluoropropan-1-ol
CID 114152950
2-[3-[(5-amino-1,3-benzoxazol-2-yl)amino]propoxy]ethanol
CID 106308929
2-[[2-(ethylamino)-2-oxoethyl]amino]-1,3-benzoxazole-6-carboxylic acid
CID 116690735
2-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-2,5-diamine
CID 79885847

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3-benzoxazol-2-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[(5-amino-1,3-benzoxazol-2-yl)amino]-N-propylacetamide (CID 79885020) is 2-[(5-amino-1,3-benzoxazol-2-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(5-amino-1,3-benzoxazol-2-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(5-amino-1,3-benzoxazol-2-yl)amino]-N-propylacetamide is CCCNC(=O)CNc1nc2cc(N)ccc2o1.
What is the InChIKey of 2-[(5-amino-1,3-benzoxazol-2-yl)amino]-N-propylacetamide?
The InChIKey is CGFFDTFPVDGCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-2-5-14-11(17)7-15-12-16-9-6-8(13)3-4-10(9)18-12/h3-4,6H,2,5,7,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-[(5-amino-1,3-benzoxazol-2-yl)amino]-N-propylacetamide?
2-[(5-amino-1,3-benzoxazol-2-yl)amino]-N-propylacetamide has a molecular weight of 248.29 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3-benzoxazol-2-yl)amino]-N-propylacetamide is sourced from PubChem (CID 79885020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).