N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-methyl-1,2-oxazole-4-carboxamide

C23H27N5O3 — CID 176870037

IUPACN-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1ccc(OCCN2CCCC2)c(-c2c(C)ncnc2C)c1
InChIInChI=1S/C23H27N5O3/c1-15-20(13-31-27-15)23(29)26-18-6-7-21(30-11-10-28-8-4-5-9-28)19(12-18)22-16(2)24-14-25-17(22)3/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,26,29)
InChIKeyJWJKYXQJGSGYSB-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.78
Rot. Bonds7

About N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-methyl-1,2-oxazole-4-carboxamide

N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 176870037) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID176870037
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1ccc(OCCN2CCCC2)c(-c2c(C)ncnc2C)c1
InChIInChI=1S/C23H27N5O3/c1-15-20(13-31-27-15)23(29)26-18-6-7-21(30-11-10-28-8-4-5-9-28)19(12-18)22-16(2)24-14-25-17(22)3/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,26,29)
InChIKeyJWJKYXQJGSGYSB-UHFFFAOYSA-N
XLogP3.78
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide
CID 163276830
N-[4-[2-(azetidin-1-yl)ethoxy]-3-(4,6-dimethylpyrimidin-5-yl)phenyl]-4-methylbenzamide
CID 163277063
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-fluoropyridine-3-carboxamide
CID 163276752
cis-(1S,2S)-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-fluorocyclopropane-1-carboxamide
CID 163276956
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 163276925
2-cyclopropyloxy-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CID 163276960
2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CID 176870040
N-[4-[2-(azetidin-1-yl)ethoxy]-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide
CID 163277132
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 163277173
cis-(1S,2S)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-fluorocyclopropane-1-carboxamide
CID 163277092
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-ethoxycyclopropane-1-carboxamide
CID 163276893
1-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclopropane-1-carboxamide
CID 175885332

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-methyl-1,2-oxazole-4-carboxamide (CID 176870037) is N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)Nc1ccc(OCCN2CCCC2)c(-c2c(C)ncnc2C)c1.
What is the InChIKey of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is JWJKYXQJGSGYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-15-20(13-31-27-15)23(29)26-18-6-7-21(30-11-10-28-8-4-5-9-28)19(12-18)22-16(2)24-14-25-17(22)3/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,26,29).
What are the key properties of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-methyl-1,2-oxazole-4-carboxamide?
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 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-(2-pyrrolidin-1-ylethoxy)phenyl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 176870037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).