(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[5-[1-(pyridin-2-ylmethylamino)ethenyl]-1H-pyrrol-3-yl]methanone

C23H20N4O2 — CID 143434094

IUPAC(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[5-[1-(pyridin-2-ylmethylamino)ethenyl]-1H-pyrrol-3-yl]methanone
SMILESC=C(NCc1ccccn1)c1cc(C(=O)c2c(-c3ccccc3)noc2C)c[nH]1
InChIInChI=1S/C23H20N4O2/c1-15(25-14-19-10-6-7-11-24-19)20-12-18(13-26-20)23(28)21-16(2)29-27-22(21)17-8-4-3-5-9-17/h3-13,25-26H,1,14H2,2H3
InChIKeyMNTHRZBPXJNITR-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.36
Rot. Bonds7

About (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[5-[1-(pyridin-2-ylmethylamino)ethenyl]-1H-pyrrol-3-yl]methanone

(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[5-[1-(pyridin-2-ylmethylamino)ethenyl]-1H-pyrrol-3-yl]methanone (PubChem CID 143434094) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[5-[1-(pyridin-2-ylmethylamino)ethenyl]-1H-pyrrol-3-yl]methanone.

Molecular Properties

Compound Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[5-[1-(pyridin-2-ylmethylamino)ethenyl]-1H-pyrrol-3-yl]methanone
PubChem CID143434094
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[5-[1-(pyridin-2-ylmethylamino)ethenyl]-1H-pyrrol-3-yl]methanone
SMILESC=C(NCc1ccccn1)c1cc(C(=O)c2c(-c3ccccc3)noc2C)c[nH]1
InChIInChI=1S/C23H20N4O2/c1-15(25-14-19-10-6-7-11-24-19)20-12-18(13-26-20)23(28)21-16(2)29-27-22(21)17-8-4-3-5-9-17/h3-13,25-26H,1,14H2,2H3
InChIKeyMNTHRZBPXJNITR-UHFFFAOYSA-N
XLogP4.36
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1H-pyrrol-2-yl]acetic acid
CID 174548092
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CID 58854706
4-[3-(4-bromophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(2,2-difluoroethyl)-1H-pyrrole-2-carboxamide
CID 90977693
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577
N'-(4-bromo-1H-pyrrole-2-carbonyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
CID 31597486
5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 2971561
4-[1-[3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-prop-2-ynyl-1H-pyrrole-2-carboxamide
CID 89227015
4-[3-(3-bromophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-cyclopentyl-1H-pyrrole-2-carboxamide
CID 57480075
5-methyl-3-(3-methylphenyl)-N-(3-pyridin-2-ylpropyl)-1,2-oxazole-4-carboxamide
CID 46964091
5-methyl-3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-4-carboxamide
CID 45236703
N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 32826150
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[5-[1-(pyridin-2-ylmethylamino)ethenyl]-1H-pyrrol-3-yl]methanone?
The IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[5-[1-(pyridin-2-ylmethylamino)ethenyl]-1H-pyrrol-3-yl]methanone (CID 143434094) is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[5-[1-(pyridin-2-ylmethylamino)ethenyl]-1H-pyrrol-3-yl]methanone.
What is the SMILES notation for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[5-[1-(pyridin-2-ylmethylamino)ethenyl]-1H-pyrrol-3-yl]methanone?
The canonical SMILES for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[5-[1-(pyridin-2-ylmethylamino)ethenyl]-1H-pyrrol-3-yl]methanone is C=C(NCc1ccccn1)c1cc(C(=O)c2c(-c3ccccc3)noc2C)c[nH]1.
What is the InChIKey of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[5-[1-(pyridin-2-ylmethylamino)ethenyl]-1H-pyrrol-3-yl]methanone?
The InChIKey is MNTHRZBPXJNITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-15(25-14-19-10-6-7-11-24-19)20-12-18(13-26-20)23(28)21-16(2)29-27-22(21)17-8-4-3-5-9-17/h3-13,25-26H,1,14H2,2H3.
What are the key properties of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[5-[1-(pyridin-2-ylmethylamino)ethenyl]-1H-pyrrol-3-yl]methanone?
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[5-[1-(pyridin-2-ylmethylamino)ethenyl]-1H-pyrrol-3-yl]methanone has a molecular weight of 384.44 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[5-[1-(pyridin-2-ylmethylamino)ethenyl]-1H-pyrrol-3-yl]methanone is sourced from PubChem (CID 143434094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).