N-[cyclopropyl(pyrimidin-2-yl)methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide

C15H18N4O2 — CID 138017734

IUPACN-[cyclopropyl(pyrimidin-2-yl)methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)NC(c1ncccn1)C1CC1
InChIInChI=1S/C15H18N4O2/c1-9(2)13-12(18-8-21-13)15(20)19-11(10-4-5-10)14-16-6-3-7-17-14/h3,6-11H,4-5H2,1-2H3,(H,19,20)
InChIKeyVJUZEIZXVJRMFK-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.47
Rot. Bonds5

About N-[cyclopropyl(pyrimidin-2-yl)methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide

N-[cyclopropyl(pyrimidin-2-yl)methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 138017734) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[cyclopropyl(pyrimidin-2-yl)methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl(pyrimidin-2-yl)methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID138017734
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-[cyclopropyl(pyrimidin-2-yl)methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)NC(c1ncccn1)C1CC1
InChIInChI=1S/C15H18N4O2/c1-9(2)13-12(18-8-21-13)15(20)19-11(10-4-5-10)14-16-6-3-7-17-14/h3,6-11H,4-5H2,1-2H3,(H,19,20)
InChIKeyVJUZEIZXVJRMFK-UHFFFAOYSA-N
XLogP2.47
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[cyclopropyl(pyrimidin-2-yl)methyl]-4-[(dimethylamino)methyl]benzamide
CID 136561264
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 125445823
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 122561176
5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 86937462
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 77082448
methyl (1S,2R,3R,4S)-3-[(5-propan-2-yl-1,3-oxazole-4-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 129424745
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 71861398
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 56705447
N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 56711712
4-[2-[(5-propan-2-yl-1,3-oxazole-4-carbonyl)amino]ethyl]benzoic acid
CID 71875590
5-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]-1,3-oxazole-4-carboxamide
CID 86963264
2-bromo-1-(5-propan-2-yl-1,3-oxazol-4-yl)ethanone
CID 126621241

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(pyrimidin-2-yl)methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[cyclopropyl(pyrimidin-2-yl)methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide (CID 138017734) is N-[cyclopropyl(pyrimidin-2-yl)methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[cyclopropyl(pyrimidin-2-yl)methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[cyclopropyl(pyrimidin-2-yl)methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide is CC(C)c1ocnc1C(=O)NC(c1ncccn1)C1CC1.
What is the InChIKey of N-[cyclopropyl(pyrimidin-2-yl)methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is VJUZEIZXVJRMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9(2)13-12(18-8-21-13)15(20)19-11(10-4-5-10)14-16-6-3-7-17-14/h3,6-11H,4-5H2,1-2H3,(H,19,20).
What are the key properties of N-[cyclopropyl(pyrimidin-2-yl)methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
N-[cyclopropyl(pyrimidin-2-yl)methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(pyrimidin-2-yl)methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 138017734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).