6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide

C20H20ClN3O4 — CID 42630049

IUPAC6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
SMILESCc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)N[C@@H](C)CO)cn1
InChIInChI=1S/C20H20ClN3O4/c1-12(10-25)23-20(26)15-5-8-18(22-9-15)27-11-17-13(2)28-24-19(17)14-3-6-16(21)7-4-14/h3-9,12,25H,10-11H2,1-2H3,(H,23,26)/t12-/m0/s1
InChIKeyDCEHNNNBACRVLV-LBPRGKRZSA-N
MW401.85 g/mol
LogP3.39
Rot. Bonds7

About 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide

6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide (PubChem CID 42630049) has the molecular formula C20H20ClN3O4 and a molecular weight of 401.85 g/mol. Its IUPAC name is 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
PubChem CID42630049
Molecular FormulaC20H20ClN3O4
Molecular Weight401.85 g/mol
Exact Mass401.11
IUPAC Name6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
SMILESCc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)N[C@@H](C)CO)cn1
InChIInChI=1S/C20H20ClN3O4/c1-12(10-25)23-20(26)15-5-8-18(22-9-15)27-11-17-13(2)28-24-19(17)14-3-6-16(21)7-4-14/h3-9,12,25H,10-11H2,1-2H3,(H,23,26)/t12-/m0/s1
InChIKeyDCEHNNNBACRVLV-LBPRGKRZSA-N
XLogP3.39
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide (CID 42630049) is 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide is Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)N[C@@H](C)CO)cn1.
What is the InChIKey of 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide?
The InChIKey is DCEHNNNBACRVLV-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H20ClN3O4/c1-12(10-25)23-20(26)15-5-8-18(22-9-15)27-11-17-13(2)28-24-19(17)14-3-6-16(21)7-4-14/h3-9,12,25H,10-11H2,1-2H3,(H,23,26)/t12-/m0/s1.
What are the key properties of 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide?
6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide has a molecular weight of 401.85 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 42630049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).