1,3-benzoxazol-2-yl propanoate

C10H9NO3 — CID 57266328

IUPAC1,3-benzoxazol-2-yl propanoate
SMILESCCC(=O)Oc1nc2ccccc2o1
InChIInChI=1S/C10H9NO3/c1-2-9(12)14-10-11-7-5-3-4-6-8(7)13-10/h3-6H,2H2,1H3
InChIKeyBVAVUCQGANXHOR-UHFFFAOYSA-N
MW191.19 g/mol
LogP2.14
Rot. Bonds2

About 1,3-benzoxazol-2-yl propanoate

1,3-benzoxazol-2-yl propanoate (PubChem CID 57266328) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1,3-benzoxazol-2-yl propanoate.

Molecular Properties

Compound Name1,3-benzoxazol-2-yl propanoate
PubChem CID57266328
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name1,3-benzoxazol-2-yl propanoate
SMILESCCC(=O)Oc1nc2ccccc2o1
InChIInChI=1S/C10H9NO3/c1-2-9(12)14-10-11-7-5-3-4-6-8(7)13-10/h3-6H,2H2,1H3
InChIKeyBVAVUCQGANXHOR-UHFFFAOYSA-N
XLogP2.14
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzoxazol-2-yl 2-phenylpropanoate
CID 174538916
2-propoxy-1,3-benzoxazole
CID 23395170
acridin-9-yl propanoate
CID 174709653
2-pentoxy-1,3-benzoxazole
CID 175319075
2-(2-methylpropoxy)-1,3-benzoxazole
CID 122485672
2-(1,3-benzoxazol-2-yloxy)-N-phenyl-N-propylacetamide
CID 12797660
2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole
CID 155662899
2-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetic acid
CID 61395477
(Z)-4-(1,3-benzoxazol-2-yl)hex-4-en-3-one
CID 123987728
2-(1,3-benzoxazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 66478066
methyl 3-(1,3-benzoxazol-2-ylamino)propanoate
CID 47277708
1,3-benzoxazol-2-yloxyimino-methyl-oxidoazanium
CID 58667120

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazol-2-yl propanoate?
The IUPAC name of 1,3-benzoxazol-2-yl propanoate (CID 57266328) is 1,3-benzoxazol-2-yl propanoate.
What is the SMILES notation for 1,3-benzoxazol-2-yl propanoate?
The canonical SMILES for 1,3-benzoxazol-2-yl propanoate is CCC(=O)Oc1nc2ccccc2o1.
What is the InChIKey of 1,3-benzoxazol-2-yl propanoate?
The InChIKey is BVAVUCQGANXHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-2-9(12)14-10-11-7-5-3-4-6-8(7)13-10/h3-6H,2H2,1H3.
What are the key properties of 1,3-benzoxazol-2-yl propanoate?
1,3-benzoxazol-2-yl propanoate has a molecular weight of 191.19 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazol-2-yl propanoate is sourced from PubChem (CID 57266328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).