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

C15H18N4O3 — CID 176989327

IUPAC2-[(5-amino-2-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESNc1ccc(Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)nc1
InChIInChI=1S/C15H18N4O3/c16-10-3-4-11(17-7-10)6-14-19-13(9-22-14)15(20)18-8-12-2-1-5-21-12/h3-4,7,9,12H,1-2,5-6,8,16H2,(H,18,20)/t12-/m0/s1
InChIKeyNNLVEVNAATYMSU-LBPRGKRZSA-N
MW302.33 g/mol
LogP1.15
Rot. Bonds5

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

2-[(5-amino-2-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 176989327) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[(5-amino-2-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(5-amino-2-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID176989327
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name2-[(5-amino-2-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESNc1ccc(Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)nc1
InChIInChI=1S/C15H18N4O3/c16-10-3-4-11(17-7-10)6-14-19-13(9-22-14)15(20)18-8-12-2-1-5-21-12/h3-4,7,9,12H,1-2,5-6,8,16H2,(H,18,20)/t12-/m0/s1
InChIKeyNNLVEVNAATYMSU-LBPRGKRZSA-N
XLogP1.15
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
2-[[cyclopropanecarbonyl(oxolan-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 4569568
2-(1-amino-2-hydroxyethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 3808934
2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 93156748
N-(oxan-2-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 45251660
2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171903
2-[[(4-fluorophenyl)methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 46000234
2-[(2-chloro-4-fluorophenoxy)methyl]-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 45245412
2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42856182
2-[[benzyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 93156932
N-[[(2S)-oxolan-2-yl]methyl]-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide
CID 99872802

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(5-amino-2-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide (CID 176989327) is 2-[(5-amino-2-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(5-amino-2-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(5-amino-2-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide is Nc1ccc(Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)nc1.
What is the InChIKey of 2-[(5-amino-2-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is NNLVEVNAATYMSU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N4O3/c16-10-3-4-11(17-7-10)6-14-19-13(9-22-14)15(20)18-8-12-2-1-5-21-12/h3-4,7,9,12H,1-2,5-6,8,16H2,(H,18,20)/t12-/m0/s1.
What are the key properties of 2-[(5-amino-2-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide?
2-[(5-amino-2-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 176989327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).