2-[(2S)-1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide

C23H25N5O4 — CID 92637247

IUPAC2-[(2S)-1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
SMILESCOCc1c(C(=O)N2CCC[C@H]2c2ncc(C(=O)Nc3ccccc3)c(C)n2)noc1C
InChIInChI=1S/C23H25N5O4/c1-14-17(22(29)26-16-8-5-4-6-9-16)12-24-21(25-14)19-10-7-11-28(19)23(30)20-18(13-31-3)15(2)32-27-20/h4-6,8-9,12,19H,7,10-11,13H2,1-3H3,(H,26,29)/t19-/m0/s1
InChIKeyRWHSDDRSDDDRRL-IBGZPJMESA-N
MW435.48 g/mol
LogP3.46
Rot. Bonds6

About 2-[(2S)-1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide

2-[(2S)-1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide (PubChem CID 92637247) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 2-[(2S)-1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2S)-1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
PubChem CID92637247
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name2-[(2S)-1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
SMILESCOCc1c(C(=O)N2CCC[C@H]2c2ncc(C(=O)Nc3ccccc3)c(C)n2)noc1C
InChIInChI=1S/C23H25N5O4/c1-14-17(22(29)26-16-8-5-4-6-9-16)12-24-21(25-14)19-10-7-11-28(19)23(30)20-18(13-31-3)15(2)32-27-20/h4-6,8-9,12,19H,7,10-11,13H2,1-3H3,(H,26,29)/t19-/m0/s1
InChIKeyRWHSDDRSDDDRRL-IBGZPJMESA-N
XLogP3.46
TPSA110.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 110247652
2-[(2S)-1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637333
4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide
CID 110247436
2-[1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 132779301
2-[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637229
2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 129361141
2-(1-benzoylpyrrolidin-2-yl)-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110247451
2-[(2S)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637163
4-methyl-N-phenyl-2-[(2R)-1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92637317
2-(1-benzoylpiperidin-2-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110247677
4-methyl-2-[(2R)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide
CID 92637327
4-methyl-2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide
CID 110084518

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-[(2S)-1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide (CID 92637247) is 2-[(2S)-1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2S)-1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2S)-1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide is COCc1c(C(=O)N2CCC[C@H]2c2ncc(C(=O)Nc3ccccc3)c(C)n2)noc1C.
What is the InChIKey of 2-[(2S)-1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide?
The InChIKey is RWHSDDRSDDDRRL-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25N5O4/c1-14-17(22(29)26-16-8-5-4-6-9-16)12-24-21(25-14)19-10-7-11-28(19)23(30)20-18(13-31-3)15(2)32-27-20/h4-6,8-9,12,19H,7,10-11,13H2,1-3H3,(H,26,29)/t19-/m0/s1.
What are the key properties of 2-[(2S)-1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide?
2-[(2S)-1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 92637247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).