3-(1,3-benzoxazol-2-ylamino)-N,N-diethylpropanamide

C14H19N3O2 — CID 47283189

IUPAC3-(1,3-benzoxazol-2-ylamino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNc1nc2ccccc2o1
InChIInChI=1S/C14H19N3O2/c1-3-17(4-2)13(18)9-10-15-14-16-11-7-5-6-8-12(11)19-14/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKeyIYXCRIVZTBOUJR-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.50
Rot. Bonds6

About 3-(1,3-benzoxazol-2-ylamino)-N,N-diethylpropanamide

3-(1,3-benzoxazol-2-ylamino)-N,N-diethylpropanamide (PubChem CID 47283189) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-ylamino)-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-ylamino)-N,N-diethylpropanamide
PubChem CID47283189
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-(1,3-benzoxazol-2-ylamino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNc1nc2ccccc2o1
InChIInChI=1S/C14H19N3O2/c1-3-17(4-2)13(18)9-10-15-14-16-11-7-5-6-8-12(11)19-14/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKeyIYXCRIVZTBOUJR-UHFFFAOYSA-N
XLogP2.50
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzoxazol-2-ylamino)-N,N-dimethylpropanamide
CID 47281823
methyl 3-(1,3-benzoxazol-2-ylamino)propanoate
CID 47277708
N-propyl-1,3-benzoxazol-2-amine
CID 584386
2-(1,3-benzoxazol-2-ylamino)-N,N-dimethylacetamide
CID 60707856
4-(1,3-benzoxazol-2-ylamino)-2,2-dimethylbutanoic acid
CID 114285537
N-(1,3-benzoxazol-2-yl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine
CID 133275489
N-(1,3-benzoxazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 60980989
3-(1,3-benzoxazol-2-ylamino)-2-methoxypropanoic acid
CID 106108341
methyl 3-(1,3-benzoxazol-2-ylamino)-2-methylpropanoate
CID 67445136
2-(1,3-benzoxazol-2-ylamino)-N-tert-butylacetamide
CID 36581358
N-(2-chloropropyl)-1,3-benzoxazol-2-amine
CID 65027470
1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol
CID 63118851

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-ylamino)-N,N-diethylpropanamide?
The IUPAC name of 3-(1,3-benzoxazol-2-ylamino)-N,N-diethylpropanamide (CID 47283189) is 3-(1,3-benzoxazol-2-ylamino)-N,N-diethylpropanamide.
What is the SMILES notation for 3-(1,3-benzoxazol-2-ylamino)-N,N-diethylpropanamide?
The canonical SMILES for 3-(1,3-benzoxazol-2-ylamino)-N,N-diethylpropanamide is CCN(CC)C(=O)CCNc1nc2ccccc2o1.
What is the InChIKey of 3-(1,3-benzoxazol-2-ylamino)-N,N-diethylpropanamide?
The InChIKey is IYXCRIVZTBOUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-17(4-2)13(18)9-10-15-14-16-11-7-5-6-8-12(11)19-14/h5-8H,3-4,9-10H2,1-2H3,(H,15,16).
What are the key properties of 3-(1,3-benzoxazol-2-ylamino)-N,N-diethylpropanamide?
3-(1,3-benzoxazol-2-ylamino)-N,N-diethylpropanamide has a molecular weight of 261.32 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-ylamino)-N,N-diethylpropanamide is sourced from PubChem (CID 47283189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).