N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide

C23H24N2O5 — CID 135566861

IUPACN-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide
SMILESCOc1ccc(-c2c(-c3cc(C(C)C)c(O)cc3O)noc2NC(=O)C2CC2)cc1
InChIInChI=1S/C23H24N2O5/c1-12(2)16-10-17(19(27)11-18(16)26)21-20(13-6-8-15(29-3)9-7-13)23(30-25-21)24-22(28)14-4-5-14/h6-12,14,26-27H,4-5H2,1-3H3,(H,24,28)
InChIKeyAVNWJTBEPNSVIJ-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.90
Rot. Bonds6

About N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide

N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide (PubChem CID 135566861) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide
PubChem CID135566861
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC NameN-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide
SMILESCOc1ccc(-c2c(-c3cc(C(C)C)c(O)cc3O)noc2NC(=O)C2CC2)cc1
InChIInChI=1S/C23H24N2O5/c1-12(2)16-10-17(19(27)11-18(16)26)21-20(13-6-8-15(29-3)9-7-13)23(30-25-21)24-22(28)14-4-5-14/h6-12,14,26-27H,4-5H2,1-3H3,(H,24,28)
InChIKeyAVNWJTBEPNSVIJ-UHFFFAOYSA-N
XLogP4.90
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide (CID 135566861) is N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide is COc1ccc(-c2c(-c3cc(C(C)C)c(O)cc3O)noc2NC(=O)C2CC2)cc1.
What is the InChIKey of N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide?
The InChIKey is AVNWJTBEPNSVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-12(2)16-10-17(19(27)11-18(16)26)21-20(13-6-8-15(29-3)9-7-13)23(30-25-21)24-22(28)14-4-5-14/h6-12,14,26-27H,4-5H2,1-3H3,(H,24,28).
What are the key properties of N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide?
N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide has a molecular weight of 408.45 g/mol, XLogP of 4.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 135566861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).