1-(1,3-benzoxazol-6-yl)-3-propylurea

C11H13N3O2 — CID 110748641

IUPAC1-(1,3-benzoxazol-6-yl)-3-propylurea
SMILESCCCNC(=O)Nc1ccc2ncoc2c1
InChIInChI=1S/C11H13N3O2/c1-2-5-12-11(15)14-8-3-4-9-10(6-8)16-7-13-9/h3-4,6-7H,2,5H2,1H3,(H2,12,14,15)
InChIKeyPFLICUUINVQXCC-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.36
Rot. Bonds3

About 1-(1,3-benzoxazol-6-yl)-3-propylurea

1-(1,3-benzoxazol-6-yl)-3-propylurea (PubChem CID 110748641) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-6-yl)-3-propylurea.

Molecular Properties

Compound Name1-(1,3-benzoxazol-6-yl)-3-propylurea
PubChem CID110748641
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-(1,3-benzoxazol-6-yl)-3-propylurea
SMILESCCCNC(=O)Nc1ccc2ncoc2c1
InChIInChI=1S/C11H13N3O2/c1-2-5-12-11(15)14-8-3-4-9-10(6-8)16-7-13-9/h3-4,6-7H,2,5H2,1H3,(H2,12,14,15)
InChIKeyPFLICUUINVQXCC-UHFFFAOYSA-N
XLogP2.36
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzoxazol-6-yl)butanamide
CID 110728829
N-(1,3-benzoxazol-6-yl)acetamide
CID 54228397
1,3-benzoxazol-6-ylcarbamic acid
CID 115170663
N-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide
CID 115161080
3-amino-N-(1,3-benzoxazol-6-yl)-3-methylbutanamide
CID 115154852
methyl 4-(1,3-benzoxazol-6-ylamino)-4-oxobutanoate
CID 110728836
N-(1,3-benzoxazol-6-yl)-1-cyanoformamide
CID 115171898
1-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylurea
CID 115169389
1-(1,3-benzodioxol-5-yl)-3-propylurea
CID 58748931
N-(1,3-benzoxazol-6-yl)-2-(4-fluorophenyl)acetamide
CID 110728862
(E)-4-(1,3-benzoxazol-6-ylamino)-4-oxobut-2-enoate
CID 7015274
N-(1,3-benzoxazol-6-ylmethyl)butanamide
CID 110784925

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-6-yl)-3-propylurea?
The IUPAC name of 1-(1,3-benzoxazol-6-yl)-3-propylurea (CID 110748641) is 1-(1,3-benzoxazol-6-yl)-3-propylurea.
What is the SMILES notation for 1-(1,3-benzoxazol-6-yl)-3-propylurea?
The canonical SMILES for 1-(1,3-benzoxazol-6-yl)-3-propylurea is CCCNC(=O)Nc1ccc2ncoc2c1.
What is the InChIKey of 1-(1,3-benzoxazol-6-yl)-3-propylurea?
The InChIKey is PFLICUUINVQXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-5-12-11(15)14-8-3-4-9-10(6-8)16-7-13-9/h3-4,6-7H,2,5H2,1H3,(H2,12,14,15).
What are the key properties of 1-(1,3-benzoxazol-6-yl)-3-propylurea?
1-(1,3-benzoxazol-6-yl)-3-propylurea has a molecular weight of 219.24 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-6-yl)-3-propylurea is sourced from PubChem (CID 110748641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).