5-ethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

C22H25N3O3 — CID 131898045

IUPAC5-ethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESCCc1oc(C(=O)NCc2coc(-c3ccccc3)n2)cc1CN1CCCC1
InChIInChI=1S/C22H25N3O3/c1-2-19-17(14-25-10-6-7-11-25)12-20(28-19)21(26)23-13-18-15-27-22(24-18)16-8-4-3-5-9-16/h3-5,8-9,12,15H,2,6-7,10-11,13-14H2,1H3,(H,23,26)
InChIKeyNRGBPVUQSVVYBC-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.02
Rot. Bonds7

About 5-ethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

5-ethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (PubChem CID 131898045) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-ethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
PubChem CID131898045
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name5-ethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESCCc1oc(C(=O)NCc2coc(-c3ccccc3)n2)cc1CN1CCCC1
InChIInChI=1S/C22H25N3O3/c1-2-19-17(14-25-10-6-7-11-25)12-20(28-19)21(26)23-13-18-15-27-22(24-18)16-8-4-3-5-9-16/h3-5,8-9,12,15H,2,6-7,10-11,13-14H2,1H3,(H,23,26)
InChIKeyNRGBPVUQSVVYBC-UHFFFAOYSA-N
XLogP4.02
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 119059323
5-[(2-phenyl-1,3-oxazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 146132693
5-ethyl-N-(oxolan-2-ylmethyl)-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 46983992
2-ethyl-5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxamide
CID 75494256
2-methyl-1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111552737
1-[2-(azepan-1-yl)ethyl]-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111553425
2-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-piperidin-1-ylethyl)guanidine
CID 111553621
5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[3-(triazol-1-yl)propyl]furan-2-carboxamide
CID 119074223
2-(2-methoxyethylamino)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride
CID 119782299
2-(2-methoxyethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazole-6-carboxamide
CID 72931105
N-(1-benzylpiperidin-4-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 38548867
1-ethyl-2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111981017

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-ethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (CID 131898045) is 5-ethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is CCc1oc(C(=O)NCc2coc(-c3ccccc3)n2)cc1CN1CCCC1.
What is the InChIKey of 5-ethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The InChIKey is NRGBPVUQSVVYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-2-19-17(14-25-10-6-7-11-25)12-20(28-19)21(26)23-13-18-15-27-22(24-18)16-8-4-3-5-9-16/h3-5,8-9,12,15H,2,6-7,10-11,13-14H2,1H3,(H,23,26).
What are the key properties of 5-ethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
5-ethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 131898045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).