4-(3-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)cyclopropyl]oxane-4-carboxamide

C16H18ClN5O2 — CID 86806373

IUPAC4-(3-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)cyclopropyl]oxane-4-carboxamide
SMILESO=C(NC1(c2nn[nH]n2)CC1)C1(c2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C16H18ClN5O2/c17-12-3-1-2-11(10-12)15(6-8-24-9-7-15)14(23)18-16(4-5-16)13-19-21-22-20-13/h1-3,10H,4-9H2,(H,18,23)(H,19,20,21,22)
InChIKeyREGOKTUECJJCSC-UHFFFAOYSA-N
MW347.81 g/mol
LogP1.71
Rot. Bonds4

About 4-(3-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)cyclopropyl]oxane-4-carboxamide

4-(3-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)cyclopropyl]oxane-4-carboxamide (PubChem CID 86806373) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)cyclopropyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)cyclopropyl]oxane-4-carboxamide
PubChem CID86806373
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Name4-(3-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)cyclopropyl]oxane-4-carboxamide
SMILESO=C(NC1(c2nn[nH]n2)CC1)C1(c2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C16H18ClN5O2/c17-12-3-1-2-11(10-12)15(6-8-24-9-7-15)14(23)18-16(4-5-16)13-19-21-22-20-13/h1-3,10H,4-9H2,(H,18,23)(H,19,20,21,22)
InChIKeyREGOKTUECJJCSC-UHFFFAOYSA-N
XLogP1.71
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[4-(3-chlorophenyl)oxane-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542936
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-chlorophenyl)oxane-4-carboxamide
CID 119459119
N-[(2S)-1-aminopropan-2-yl]-4-(3-chlorophenyl)oxane-4-carboxamide;hydrochloride
CID 120507442
4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride
CID 119453799
4-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)oxane-4-carboxamide
CID 119537652
5-(4-phenyloxan-4-yl)-2H-tetrazole
CID 63081162
2-[4-[[4-(3-chlorophenyl)oxane-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696695
4-(3-chlorophenyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]oxane-4-carboxamide
CID 55996291
4-(3-chlorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]oxane-4-carboxamide
CID 60566039
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(3-chlorophenyl)oxane-4-carboxamide
CID 55997181
4-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide
CID 120573485
4-(3-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]oxane-4-carboxamide
CID 94829023

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)cyclopropyl]oxane-4-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)cyclopropyl]oxane-4-carboxamide (CID 86806373) is 4-(3-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)cyclopropyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)cyclopropyl]oxane-4-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)cyclopropyl]oxane-4-carboxamide is O=C(NC1(c2nn[nH]n2)CC1)C1(c2cccc(Cl)c2)CCOCC1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)cyclopropyl]oxane-4-carboxamide?
The InChIKey is REGOKTUECJJCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O2/c17-12-3-1-2-11(10-12)15(6-8-24-9-7-15)14(23)18-16(4-5-16)13-19-21-22-20-13/h1-3,10H,4-9H2,(H,18,23)(H,19,20,21,22).
What are the key properties of 4-(3-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)cyclopropyl]oxane-4-carboxamide?
4-(3-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)cyclopropyl]oxane-4-carboxamide has a molecular weight of 347.81 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)cyclopropyl]oxane-4-carboxamide is sourced from PubChem (CID 86806373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).