6-(4-amino-1-hydroxybutyl)-3-propyl-1,3-benzoxazol-2-one

C14H20N2O3 — CID 82341307

IUPAC6-(4-amino-1-hydroxybutyl)-3-propyl-1,3-benzoxazol-2-one
SMILESCCCn1c(=O)oc2cc(C(O)CCCN)ccc21
InChIInChI=1S/C14H20N2O3/c1-2-8-16-11-6-5-10(12(17)4-3-7-15)9-13(11)19-14(16)18/h5-6,9,12,17H,2-4,7-8,15H2,1H3
InChIKeyWKXVWNAKDHKVQP-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.78
Rot. Bonds6

About 6-(4-amino-1-hydroxybutyl)-3-propyl-1,3-benzoxazol-2-one

6-(4-amino-1-hydroxybutyl)-3-propyl-1,3-benzoxazol-2-one (PubChem CID 82341307) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-(4-amino-1-hydroxybutyl)-3-propyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(4-amino-1-hydroxybutyl)-3-propyl-1,3-benzoxazol-2-one
PubChem CID82341307
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name6-(4-amino-1-hydroxybutyl)-3-propyl-1,3-benzoxazol-2-one
SMILESCCCn1c(=O)oc2cc(C(O)CCCN)ccc21
InChIInChI=1S/C14H20N2O3/c1-2-8-16-11-6-5-10(12(17)4-3-7-15)9-13(11)19-14(16)18/h5-6,9,12,17H,2-4,7-8,15H2,1H3
InChIKeyWKXVWNAKDHKVQP-UHFFFAOYSA-N
XLogP1.78
TPSA81.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-amino-1-hydroxybutyl)-3-methyl-1,3-benzoxazol-2-one
CID 82341274
6-(1-hydroxy-3,3-dimethylbutyl)-3-propyl-1,3-benzoxazol-2-one
CID 62298658
6-(1-aminoethyl)-3-propyl-1,3-benzoxazol-2-one
CID 62300066
6-[(1S)-1-aminopropyl]-3-propyl-1,3-benzoxazol-2-one
CID 82758221
6-(2-cyclopentyl-1-hydroxyethyl)-3-propyl-1,3-benzoxazol-2-one
CID 62299898
6-(1-chloroethyl)-3-propyl-1,3-benzoxazol-2-one
CID 62300248
6-[1-hydroxy-2-(oxolan-2-yl)ethyl]-3-propyl-1,3-benzoxazol-2-one
CID 65157944
6-(1-hydroxy-2-methylsulfonylpropyl)-3-propyl-1,3-benzoxazol-2-one
CID 104521176
6-(1-chloro-2-ethylbutyl)-3-propyl-1,3-benzoxazol-2-one
CID 63444227
methyl 4-amino-4-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)butanoate
CID 62298655
6-(3-amino-1-hydroxypropyl)-3-propan-2-yl-1,3-benzoxazol-2-one
CID 82341318
6-[hydroxy-(2-methylfuran-3-yl)methyl]-3-propyl-1,3-benzoxazol-2-one
CID 62300581

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-1-hydroxybutyl)-3-propyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-(4-amino-1-hydroxybutyl)-3-propyl-1,3-benzoxazol-2-one (CID 82341307) is 6-(4-amino-1-hydroxybutyl)-3-propyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(4-amino-1-hydroxybutyl)-3-propyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(4-amino-1-hydroxybutyl)-3-propyl-1,3-benzoxazol-2-one is CCCn1c(=O)oc2cc(C(O)CCCN)ccc21.
What is the InChIKey of 6-(4-amino-1-hydroxybutyl)-3-propyl-1,3-benzoxazol-2-one?
The InChIKey is WKXVWNAKDHKVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-8-16-11-6-5-10(12(17)4-3-7-15)9-13(11)19-14(16)18/h5-6,9,12,17H,2-4,7-8,15H2,1H3.
What are the key properties of 6-(4-amino-1-hydroxybutyl)-3-propyl-1,3-benzoxazol-2-one?
6-(4-amino-1-hydroxybutyl)-3-propyl-1,3-benzoxazol-2-one has a molecular weight of 264.32 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-1-hydroxybutyl)-3-propyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 82341307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).