2-[4-(1,3-benzoxazol-2-ylamino)-2,5-dichlorophenyl]acetic acid

C15H10Cl2N2O3 — CID 58984866

IUPAC2-[4-(1,3-benzoxazol-2-ylamino)-2,5-dichlorophenyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)c(Nc2nc3ccccc3o2)cc1Cl
InChIInChI=1S/C15H10Cl2N2O3/c16-9-7-12(10(17)5-8(9)6-14(20)21)19-15-18-11-3-1-2-4-13(11)22-15/h1-5,7H,6H2,(H,18,19)(H,20,21)
InChIKeyIDSDHDPCWDGFRA-UHFFFAOYSA-N
MW337.16 g/mol
LogP4.51
Rot. Bonds4

About 2-[4-(1,3-benzoxazol-2-ylamino)-2,5-dichlorophenyl]acetic acid

2-[4-(1,3-benzoxazol-2-ylamino)-2,5-dichlorophenyl]acetic acid (PubChem CID 58984866) has the molecular formula C15H10Cl2N2O3 and a molecular weight of 337.16 g/mol. Its IUPAC name is 2-[4-(1,3-benzoxazol-2-ylamino)-2,5-dichlorophenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(1,3-benzoxazol-2-ylamino)-2,5-dichlorophenyl]acetic acid
PubChem CID58984866
Molecular FormulaC15H10Cl2N2O3
Molecular Weight337.16 g/mol
Exact Mass336.01
IUPAC Name2-[4-(1,3-benzoxazol-2-ylamino)-2,5-dichlorophenyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)c(Nc2nc3ccccc3o2)cc1Cl
InChIInChI=1S/C15H10Cl2N2O3/c16-9-7-12(10(17)5-8(9)6-14(20)21)19-15-18-11-3-1-2-4-13(11)22-15/h1-5,7H,6H2,(H,18,19)(H,20,21)
InChIKeyIDSDHDPCWDGFRA-UHFFFAOYSA-N
XLogP4.51
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-ethylphenyl)-1,3-benzoxazol-2-amine
CID 174464470
3-[2-[(2S,4S)-1-[2-[4-(1,3-benzoxazol-2-ylamino)-2,5-dichlorophenyl]acetyl]-4-methoxypyrrolidin-2-yl]-1,3-thiazol-5-yl]propanoic acid
CID 11512558
2-[2-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]acetic acid
CID 81313394
2-[5-(1,3-benzoxazol-2-ylamino)-6-chloro-2-pyridinyl]butanoic acid
CID 87387439
N-(3,5-dichlorophenyl)-1,3-benzoxazol-2-amine
CID 53419153
N-(1,3-benzoxazol-2-yl)-2-(4-chlorophenyl)acetamide
CID 90655333
3-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]propanoic acid
CID 18008952
(2R)-2-(1,3-benzoxazol-2-ylamino)butanedioic acid
CID 167988946
2-N-(2-chlorophenyl)-1,3-benzoxazole-2,6-diamine
CID 79890014
3-[3-(1,3-benzoxazol-2-ylamino)-4-(2,2-dimethylpropylamino)phenyl]-4-methylpentanoic acid
CID 130297692
2-[7-chloro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetic acid
CID 86225280
2-(1,3-benzoxazol-2-ylamino)-N,N-dimethylacetamide
CID 60707856

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzoxazol-2-ylamino)-2,5-dichlorophenyl]acetic acid?
The IUPAC name of 2-[4-(1,3-benzoxazol-2-ylamino)-2,5-dichlorophenyl]acetic acid (CID 58984866) is 2-[4-(1,3-benzoxazol-2-ylamino)-2,5-dichlorophenyl]acetic acid.
What is the SMILES notation for 2-[4-(1,3-benzoxazol-2-ylamino)-2,5-dichlorophenyl]acetic acid?
The canonical SMILES for 2-[4-(1,3-benzoxazol-2-ylamino)-2,5-dichlorophenyl]acetic acid is O=C(O)Cc1cc(Cl)c(Nc2nc3ccccc3o2)cc1Cl.
What is the InChIKey of 2-[4-(1,3-benzoxazol-2-ylamino)-2,5-dichlorophenyl]acetic acid?
The InChIKey is IDSDHDPCWDGFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O3/c16-9-7-12(10(17)5-8(9)6-14(20)21)19-15-18-11-3-1-2-4-13(11)22-15/h1-5,7H,6H2,(H,18,19)(H,20,21).
What are the key properties of 2-[4-(1,3-benzoxazol-2-ylamino)-2,5-dichlorophenyl]acetic acid?
2-[4-(1,3-benzoxazol-2-ylamino)-2,5-dichlorophenyl]acetic acid has a molecular weight of 337.16 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzoxazol-2-ylamino)-2,5-dichlorophenyl]acetic acid is sourced from PubChem (CID 58984866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).