5-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

C20H24N6O2 — CID 119059323

IUPAC5-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESCCc1oc(C(=O)NCc2nnnn2-c2ccccc2)cc1CN1CCCC1
InChIInChI=1S/C20H24N6O2/c1-2-17-15(14-25-10-6-7-11-25)12-18(28-17)20(27)21-13-19-22-23-24-26(19)16-8-4-3-5-9-16/h3-5,8-9,12H,2,6-7,10-11,13-14H2,1H3,(H,21,27)
InChIKeyKSZQRMRFPWWPMS-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.34
Rot. Bonds7

About 5-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

5-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (PubChem CID 119059323) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
PubChem CID119059323
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name5-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESCCc1oc(C(=O)NCc2nnnn2-c2ccccc2)cc1CN1CCCC1
InChIInChI=1S/C20H24N6O2/c1-2-17-15(14-25-10-6-7-11-25)12-18(28-17)20(27)21-13-19-22-23-24-26(19)16-8-4-3-5-9-16/h3-5,8-9,12H,2,6-7,10-11,13-14H2,1H3,(H,21,27)
InChIKeyKSZQRMRFPWWPMS-UHFFFAOYSA-N
XLogP2.34
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 46997339
5-ethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131898045
5-ethyl-4-(piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 1093415
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide
CID 16799307
1-[(1-phenyltetrazol-5-yl)methyl]azepane
CID 47010715
5-ethyl-N-(oxolan-2-ylmethyl)-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 46983992
5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[3-(triazol-1-yl)propyl]furan-2-carboxamide
CID 119074223
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide;formic acid
CID 154913371
N-[(1-phenyltetrazol-5-yl)methyl]cycloheptene-1-carboxamide
CID 125419395
N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide
CID 22579909
(2R)-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 126453641
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (CID 119059323) is 5-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is CCc1oc(C(=O)NCc2nnnn2-c2ccccc2)cc1CN1CCCC1.
What is the InChIKey of 5-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The InChIKey is KSZQRMRFPWWPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-2-17-15(14-25-10-6-7-11-25)12-18(28-17)20(27)21-13-19-22-23-24-26(19)16-8-4-3-5-9-16/h3-5,8-9,12H,2,6-7,10-11,13-14H2,1H3,(H,21,27).
What are the key properties of 5-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
5-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 119059323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).