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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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).