N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(piperidin-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide

C22H25N5O3 — CID 176870030

IUPACN-[3-(4,6-dimethylpyrimidin-5-yl)-4-(piperidin-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1ncnc(C)c1-c1cc(NC(=O)c2cnoc2)ccc1OCC1CCCCN1
InChIInChI=1S/C22H25N5O3/c1-14-21(15(2)25-13-24-14)19-9-17(27-22(28)16-10-26-30-11-16)6-7-20(19)29-12-18-5-3-4-8-23-18/h6-7,9-11,13,18,23H,3-5,8,12H2,1-2H3,(H,27,28)
InChIKeyKHIVTBPQONLPCY-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.52
Rot. Bonds6

About N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(piperidin-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide

N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(piperidin-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 176870030) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(piperidin-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4,6-dimethylpyrimidin-5-yl)-4-(piperidin-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID176870030
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-[3-(4,6-dimethylpyrimidin-5-yl)-4-(piperidin-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1ncnc(C)c1-c1cc(NC(=O)c2cnoc2)ccc1OCC1CCCCN1
InChIInChI=1S/C22H25N5O3/c1-14-21(15(2)25-13-24-14)19-9-17(27-22(28)16-10-26-30-11-16)6-7-20(19)29-12-18-5-3-4-8-23-18/h6-7,9-11,13,18,23H,3-5,8,12H2,1-2H3,(H,27,28)
InChIKeyKHIVTBPQONLPCY-UHFFFAOYSA-N
XLogP3.52
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 163276925
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 163276919
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-methylpyrrole-2-carboxamide
CID 163276974
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-hydroxycyclopropane-1-carboxamide
CID 163276994
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-2-fluoropentanamide
CID 176870041
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 163277283
N-[4-[2-(azetidin-1-yl)ethoxy]-3-(4,6-dimethylpyrimidin-5-yl)phenyl]-4-methylbenzamide
CID 163277063
N-[4-(azetidin-2-ylmethoxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide
CID 163277263
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 176870037
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-fluoropyridine-3-carboxamide
CID 163276752
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide
CID 163276830
2-cyclopropyloxy-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CID 163276960

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(piperidin-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(piperidin-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide (CID 176870030) is N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(piperidin-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(piperidin-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(piperidin-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide is Cc1ncnc(C)c1-c1cc(NC(=O)c2cnoc2)ccc1OCC1CCCCN1.
What is the InChIKey of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(piperidin-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is KHIVTBPQONLPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-14-21(15(2)25-13-24-14)19-9-17(27-22(28)16-10-26-30-11-16)6-7-20(19)29-12-18-5-3-4-8-23-18/h6-7,9-11,13,18,23H,3-5,8,12H2,1-2H3,(H,27,28).
What are the key properties of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(piperidin-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide?
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(piperidin-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(piperidin-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 176870030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).