N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide

C20H17ClN2O5 — CID 135567374

IUPACN-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide
SMILESCOc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)noc2NC(=O)C2CC2)cc1
InChIInChI=1S/C20H17ClN2O5/c1-27-12-6-4-10(5-7-12)17-18(13-8-14(21)16(25)9-15(13)24)23-28-20(17)22-19(26)11-2-3-11/h4-9,11,24-25H,2-3H2,1H3,(H,22,26)
InChIKeyDWCUAHBOVUBFHQ-UHFFFAOYSA-N
MW400.82 g/mol
LogP4.43
Rot. Bonds5

About N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide

N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide (PubChem CID 135567374) has the molecular formula C20H17ClN2O5 and a molecular weight of 400.82 g/mol. Its IUPAC name is N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide
PubChem CID135567374
Molecular FormulaC20H17ClN2O5
Molecular Weight400.82 g/mol
Exact Mass400.08
IUPAC NameN-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide
SMILESCOc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)noc2NC(=O)C2CC2)cc1
InChIInChI=1S/C20H17ClN2O5/c1-27-12-6-4-10(5-7-12)17-18(13-8-14(21)16(25)9-15(13)24)23-28-20(17)22-19(26)11-2-3-11/h4-9,11,24-25H,2-3H2,1H3,(H,22,26)
InChIKeyDWCUAHBOVUBFHQ-UHFFFAOYSA-N
XLogP4.43
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.82
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide (CID 135567374) is N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide is COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)noc2NC(=O)C2CC2)cc1.
What is the InChIKey of N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide?
The InChIKey is DWCUAHBOVUBFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O5/c1-27-12-6-4-10(5-7-12)17-18(13-8-14(21)16(25)9-15(13)24)23-28-20(17)22-19(26)11-2-3-11/h4-9,11,24-25H,2-3H2,1H3,(H,22,26).
What are the key properties of N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide?
N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide has a molecular weight of 400.82 g/mol, XLogP of 4.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 135567374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).