N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-5-propyl-1,2-oxazole-3-carboxamide

C20H21N3O3 — CID 96575078

IUPACN-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)N[C@@H](c2ccncc2)c2ccc(OC)cc2)no1
InChIInChI=1S/C20H21N3O3/c1-3-4-17-13-18(23-26-17)20(24)22-19(15-9-11-21-12-10-15)14-5-7-16(25-2)8-6-14/h5-13,19H,3-4H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyKMXMIBXTJVWPOG-LJQANCHMSA-N
MW351.41 g/mol
LogP3.55
Rot. Bonds7

About N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-5-propyl-1,2-oxazole-3-carboxamide

N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 96575078) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID96575078
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)N[C@@H](c2ccncc2)c2ccc(OC)cc2)no1
InChIInChI=1S/C20H21N3O3/c1-3-4-17-13-18(23-26-17)20(24)22-19(15-9-11-21-12-10-15)14-5-7-16(25-2)8-6-14/h5-13,19H,3-4H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyKMXMIBXTJVWPOG-LJQANCHMSA-N
XLogP3.55
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-1H-pyrazole-4-carboxamide
CID 77079339
N-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 99929721
3-methoxy-2-[(5-propyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 72870049
N-(1-pyridin-4-ylpropyl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 45252047
N-[2-[[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]carbamoylamino]ethyl]-2-methylpropanamide
CID 126429579
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-(4-methoxyphenyl)acetamide
CID 110440139
4-methoxy-N-(1-pyridin-4-ylpropyl)pyridine-2-carboxamide
CID 91763496
N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 72879148
2-(azepan-1-yl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]acetamide
CID 125161673
(E)-3-[4-(hydroxymethyl)thiophen-2-yl]-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]prop-2-enamide
CID 131936406
N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96581160
1-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-(1-methylcyclobutyl)urea
CID 126423150

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-5-propyl-1,2-oxazole-3-carboxamide (CID 96575078) is N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-5-propyl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)N[C@@H](c2ccncc2)c2ccc(OC)cc2)no1.
What is the InChIKey of N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is KMXMIBXTJVWPOG-LJQANCHMSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-4-17-13-18(23-26-17)20(24)22-19(15-9-11-21-12-10-15)14-5-7-16(25-2)8-6-14/h5-13,19H,3-4H2,1-2H3,(H,22,24)/t19-/m1/s1.
What are the key properties of N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-5-propyl-1,2-oxazole-3-carboxamide?
N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-5-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 96575078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).