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

C20H19ClN2O5 — CID 135567371

IUPACN-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylpropanamide
SMILESCOc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)noc2NC(=O)C(C)C)cc1
InChIInChI=1S/C20H19ClN2O5/c1-10(2)19(26)22-20-17(11-4-6-12(27-3)7-5-11)18(23-28-20)13-8-14(21)16(25)9-15(13)24/h4-10,24-25H,1-3H3,(H,22,26)
InChIKeyQKMQJLLMNRRTJB-UHFFFAOYSA-N
MW402.83 g/mol
LogP4.68
Rot. Bonds5

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

N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylpropanamide (PubChem CID 135567371) has the molecular formula C20H19ClN2O5 and a molecular weight of 402.83 g/mol. Its IUPAC name is N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylpropanamide
PubChem CID135567371
Molecular FormulaC20H19ClN2O5
Molecular Weight402.83 g/mol
Exact Mass402.10
IUPAC NameN-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylpropanamide
SMILESCOc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)noc2NC(=O)C(C)C)cc1
InChIInChI=1S/C20H19ClN2O5/c1-10(2)19(26)22-20-17(11-4-6-12(27-3)7-5-11)18(23-28-20)13-8-14(21)16(25)9-15(13)24/h4-10,24-25H,1-3H3,(H,22,26)
InChIKeyQKMQJLLMNRRTJB-UHFFFAOYSA-N
XLogP4.68
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.83
LogP ≤ 54.68
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]-2-methylpropanamide?
The IUPAC name of N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylpropanamide (CID 135567371) is N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylpropanamide?
The canonical SMILES for N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylpropanamide is COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)noc2NC(=O)C(C)C)cc1.
What is the InChIKey of N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylpropanamide?
The InChIKey is QKMQJLLMNRRTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O5/c1-10(2)19(26)22-20-17(11-4-6-12(27-3)7-5-11)18(23-28-20)13-8-14(21)16(25)9-15(13)24/h4-10,24-25H,1-3H3,(H,22,26).
What are the key properties of N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylpropanamide?
N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylpropanamide has a molecular weight of 402.83 g/mol, XLogP of 4.68, 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]-2-methylpropanamide is sourced from PubChem (CID 135567371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).