N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide

C19H20N4O2 — CID 25478043

IUPACN-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCc1cccnc1N(C)Cc1ccccc1
InChIInChI=1S/C19H20N4O2/c1-14-17(25-13-22-14)19(24)21-11-16-9-6-10-20-18(16)23(2)12-15-7-4-3-5-8-15/h3-10,13H,11-12H2,1-2H3,(H,21,24)
InChIKeyCRFHMYRXTPZNBX-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.94
Rot. Bonds6

About N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide

N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 25478043) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID25478043
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCc1cccnc1N(C)Cc1ccccc1
InChIInChI=1S/C19H20N4O2/c1-14-17(25-13-22-14)19(24)21-11-16-9-6-10-20-18(16)23(2)12-15-7-4-3-5-8-15/h3-10,13H,11-12H2,1-2H3,(H,21,24)
InChIKeyCRFHMYRXTPZNBX-UHFFFAOYSA-N
XLogP2.94
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-[5-[[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]pyridin-2-yl]piperazine-1-carboxylate
CID 67293617
Ethyl 4-[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]pyridin-2-yl]piperazine-1-carboxylate
CID 67293664
N-(6-(4-(2-fluorophenylcarbamoyl)piperazin-1-yl)pyridin-3-yl)-2-(piperidin-1-yl)-4-(trifluoromethyl)oxazole-5-carboxamide
CID 67387006
N-[6-(4-phenylpiperazin-1-yl)pyridin-3-yl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67390528
N-[6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyridin-3-yl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 68236004
2-piperidin-1-yl-N-[6-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]pyridin-3-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 68236190
N-[6-(4-phenylpiperidin-1-yl)pyridin-3-yl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67389970
N-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridin-3-yl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 68235802
2-piperidin-1-yl-N-[6-(4-propanoylpiperazin-1-yl)pyridin-3-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 68236199
N-[4-isopropyl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-4-methyl-oxazole-5-carboxamide
CID 53312226
(2-Methyl-4-phenyl-1,3-oxazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 76327957
N-[(1S)-1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[[(3S,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]amino]ethyl]-4-ethyl-1,3-oxazole-5-carboxamide
CID 171790764

Frequently Asked Questions

What is the IUPAC name of N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide (CID 25478043) is N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NCc1cccnc1N(C)Cc1ccccc1.
What is the InChIKey of N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is CRFHMYRXTPZNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-17(25-13-22-14)19(24)21-11-16-9-6-10-20-18(16)23(2)12-15-7-4-3-5-8-15/h3-10,13H,11-12H2,1-2H3,(H,21,24).
What are the key properties of N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 25478043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).