ethane;N-[(5-fluoro-3-pyridinyl)methyl]-5-(4-methoxy-3-methylphenyl)-1,3-oxazole-4-carboxamide

C20H22FN3O3 — CID 176672630

IUPACethane;N-[(5-fluoro-3-pyridinyl)methyl]-5-(4-methoxy-3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCC.COc1ccc(-c2ocnc2C(=O)NCc2cncc(F)c2)cc1C
InChIInChI=1S/C18H16FN3O3.C2H6/c1-11-5-13(3-4-15(11)24-2)17-16(22-10-25-17)18(23)21-8-12-6-14(19)9-20-7-12;1-2/h3-7,9-10H,8H2,1-2H3,(H,21,23);1-2H3
InChIKeySIYMYCHRVCQJMK-UHFFFAOYSA-N
MW371.41 g/mol
LogP4.15
Rot. Bonds5

About ethane;N-[(5-fluoro-3-pyridinyl)methyl]-5-(4-methoxy-3-methylphenyl)-1,3-oxazole-4-carboxamide

ethane;N-[(5-fluoro-3-pyridinyl)methyl]-5-(4-methoxy-3-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 176672630) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is ethane;N-[(5-fluoro-3-pyridinyl)methyl]-5-(4-methoxy-3-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Nameethane;N-[(5-fluoro-3-pyridinyl)methyl]-5-(4-methoxy-3-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID176672630
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Nameethane;N-[(5-fluoro-3-pyridinyl)methyl]-5-(4-methoxy-3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCC.COc1ccc(-c2ocnc2C(=O)NCc2cncc(F)c2)cc1C
InChIInChI=1S/C18H16FN3O3.C2H6/c1-11-5-13(3-4-15(11)24-2)17-16(22-10-25-17)18(23)21-8-12-6-14(19)9-20-7-12;1-2/h3-7,9-10H,8H2,1-2H3,(H,21,23);1-2H3
InChIKeySIYMYCHRVCQJMK-UHFFFAOYSA-N
XLogP4.15
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide
CID 176672661
N-[3-(5-fluoro-3-pyridinyl)propyl]-2-(4-methoxy-3-methylphenyl)furan-3-carboxamide
CID 176672613
N-[(2R)-1-[2-(5-fluoro-3-pyridinyl)ethyl]-2-hydroxycyclopropyl]-5-(3-iodo-4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 176672720
N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963676
N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963592
5-(4-acetylphenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide
CID 176672689
5-(4-methoxy-3-morpholin-4-ylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
CID 57394803
5-(3-chloro-4-methoxyphenyl)-N-propyl-1,3-oxazole-4-carboxamide
CID 122597246
5-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963569
5-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 20963827
N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
CID 46347296
4-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide
CID 167645967

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(5-fluoro-3-pyridinyl)methyl]-5-(4-methoxy-3-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of ethane;N-[(5-fluoro-3-pyridinyl)methyl]-5-(4-methoxy-3-methylphenyl)-1,3-oxazole-4-carboxamide (CID 176672630) is ethane;N-[(5-fluoro-3-pyridinyl)methyl]-5-(4-methoxy-3-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for ethane;N-[(5-fluoro-3-pyridinyl)methyl]-5-(4-methoxy-3-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for ethane;N-[(5-fluoro-3-pyridinyl)methyl]-5-(4-methoxy-3-methylphenyl)-1,3-oxazole-4-carboxamide is CC.COc1ccc(-c2ocnc2C(=O)NCc2cncc(F)c2)cc1C.
What is the InChIKey of ethane;N-[(5-fluoro-3-pyridinyl)methyl]-5-(4-methoxy-3-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is SIYMYCHRVCQJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3.C2H6/c1-11-5-13(3-4-15(11)24-2)17-16(22-10-25-17)18(23)21-8-12-6-14(19)9-20-7-12;1-2/h3-7,9-10H,8H2,1-2H3,(H,21,23);1-2H3.
What are the key properties of ethane;N-[(5-fluoro-3-pyridinyl)methyl]-5-(4-methoxy-3-methylphenyl)-1,3-oxazole-4-carboxamide?
ethane;N-[(5-fluoro-3-pyridinyl)methyl]-5-(4-methoxy-3-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 371.41 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(5-fluoro-3-pyridinyl)methyl]-5-(4-methoxy-3-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 176672630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).