5-[(5-amino-1-methoxypentan-2-yl)amino]-3H-1,3-benzoxazol-2-one

C13H19N3O3 — CID 103388876

IUPAC5-[(5-amino-1-methoxypentan-2-yl)amino]-3H-1,3-benzoxazol-2-one
SMILESCOCC(CCCN)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C13H19N3O3/c1-18-8-10(3-2-6-14)15-9-4-5-12-11(7-9)16-13(17)19-12/h4-5,7,10,15H,2-3,6,8,14H2,1H3,(H,16,17)
InChIKeyRZPBOPGYPWGPSN-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.29
Rot. Bonds7

About 5-[(5-amino-1-methoxypentan-2-yl)amino]-3H-1,3-benzoxazol-2-one

5-[(5-amino-1-methoxypentan-2-yl)amino]-3H-1,3-benzoxazol-2-one (PubChem CID 103388876) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[(5-amino-1-methoxypentan-2-yl)amino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[(5-amino-1-methoxypentan-2-yl)amino]-3H-1,3-benzoxazol-2-one
PubChem CID103388876
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-[(5-amino-1-methoxypentan-2-yl)amino]-3H-1,3-benzoxazol-2-one
SMILESCOCC(CCCN)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C13H19N3O3/c1-18-8-10(3-2-6-14)15-9-4-5-12-11(7-9)16-13(17)19-12/h4-5,7,10,15H,2-3,6,8,14H2,1H3,(H,16,17)
InChIKeyRZPBOPGYPWGPSN-UHFFFAOYSA-N
XLogP1.29
TPSA93.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[(5-amino-1-methoxypentan-2-yl)amino]-3H-1,3-benzoxazol-2-one with MolForge

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Related Compounds

5-(1-aminopropan-2-ylamino)-3H-1,3-benzoxazol-2-one
CID 103388877
5-[(1-amino-3-methylbutan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115137951
5-[(4-amino-2-methylbutan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115134489
4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine
CID 103387248
5-(2,4-dimethylpentan-3-ylamino)-3H-1,3-benzoxazol-2-one
CID 112743200
4-N-(6-bromonaphthalen-2-yl)-5-methoxypentane-1,4-diamine
CID 103390438
5-[(5-amino-1-methoxypentan-2-yl)amino]-2-chlorobenzamide
CID 103388414
7-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)heptanamide;hydrochloride
CID 119709871
ethyl 4-[(5-amino-1-methoxypentan-2-yl)amino]benzoate
CID 103387754
N-[5-[(5-amino-1-methoxypentan-2-yl)amino]-2-fluorophenyl]methanesulfonamide
CID 103388710
5-(1-cyclopropylpropan-2-ylamino)-3H-1,3-benzoxazol-2-one
CID 113489813
4-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methoxypentane-1,4-diamine
CID 103389195

Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-1-methoxypentan-2-yl)amino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[(5-amino-1-methoxypentan-2-yl)amino]-3H-1,3-benzoxazol-2-one (CID 103388876) is 5-[(5-amino-1-methoxypentan-2-yl)amino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[(5-amino-1-methoxypentan-2-yl)amino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[(5-amino-1-methoxypentan-2-yl)amino]-3H-1,3-benzoxazol-2-one is COCC(CCCN)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 5-[(5-amino-1-methoxypentan-2-yl)amino]-3H-1,3-benzoxazol-2-one?
The InChIKey is RZPBOPGYPWGPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-18-8-10(3-2-6-14)15-9-4-5-12-11(7-9)16-13(17)19-12/h4-5,7,10,15H,2-3,6,8,14H2,1H3,(H,16,17).
What are the key properties of 5-[(5-amino-1-methoxypentan-2-yl)amino]-3H-1,3-benzoxazol-2-one?
5-[(5-amino-1-methoxypentan-2-yl)amino]-3H-1,3-benzoxazol-2-one has a molecular weight of 265.31 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-1-methoxypentan-2-yl)amino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 103388876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).