2,5-bis(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrrol-3-amine

C22H21N3O3 — CID 135912239

IUPAC2,5-bis(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrrol-3-amine
SMILESCOc1ccc(-c2[nH]c(-c3ccc(OC)cc3)c(-c3cc(C)no3)c2N)cc1
InChIInChI=1S/C22H21N3O3/c1-13-12-18(28-25-13)19-20(23)22(15-6-10-17(27-3)11-7-15)24-21(19)14-4-8-16(26-2)9-5-14/h4-12,24H,23H2,1-3H3
InChIKeyGCXNKDHFABQPKB-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.91
Rot. Bonds5

About 2,5-bis(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrrol-3-amine

2,5-bis(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrrol-3-amine (PubChem CID 135912239) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2,5-bis(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrrol-3-amine.

Molecular Properties

Compound Name2,5-bis(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrrol-3-amine
PubChem CID135912239
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2,5-bis(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrrol-3-amine
SMILESCOc1ccc(-c2[nH]c(-c3ccc(OC)cc3)c(-c3cc(C)no3)c2N)cc1
InChIInChI=1S/C22H21N3O3/c1-13-12-18(28-25-13)19-20(23)22(15-6-10-17(27-3)11-7-15)24-21(19)14-4-8-16(26-2)9-5-14/h4-12,24H,23H2,1-3H3
InChIKeyGCXNKDHFABQPKB-UHFFFAOYSA-N
XLogP4.91
TPSA86.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(4-methoxyphenyl)cyclohepta[b]pyrrol-3-yl]-3-methyl-1,2-oxazole
CID 101083510
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CID 116868995
N-(4-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094959
5-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-3,3-diphenyl-1H-pyrrol-2-one
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3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920
5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride
CID 43840572
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
CID 63617032
2,3-bis(4-methoxyphenyl)-1H-indole
CID 21129
4-(4-methoxyphenyl)-5-(2-methyl-4-pyridinyl)-1,2-oxazol-3-amine
CID 106754464
3-methyl-5-(5-methylfuran-2-yl)-1,2-oxazole
CID 116868998
5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-amine
CID 132548516
5-amino-4-(4-methoxyphenyl)-3H-1,3-thiazole-2-thione
CID 28805707

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrrol-3-amine?
The IUPAC name of 2,5-bis(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrrol-3-amine (CID 135912239) is 2,5-bis(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrrol-3-amine.
What is the SMILES notation for 2,5-bis(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrrol-3-amine?
The canonical SMILES for 2,5-bis(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrrol-3-amine is COc1ccc(-c2[nH]c(-c3ccc(OC)cc3)c(-c3cc(C)no3)c2N)cc1.
What is the InChIKey of 2,5-bis(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrrol-3-amine?
The InChIKey is GCXNKDHFABQPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-13-12-18(28-25-13)19-20(23)22(15-6-10-17(27-3)11-7-15)24-21(19)14-4-8-16(26-2)9-5-14/h4-12,24H,23H2,1-3H3.
What are the key properties of 2,5-bis(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrrol-3-amine?
2,5-bis(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrrol-3-amine has a molecular weight of 375.43 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrrol-3-amine is sourced from PubChem (CID 135912239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).