trans-(1R,2R)-N-[(3R)-oxolan-3-yl]-2-[4-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide

C15H17N5O2 — CID 166311794

IUPACtrans-(1R,2R)-N-[(3R)-oxolan-3-yl]-2-[4-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(N[C@@H]1CCOC1)[C@@H]1C[C@H]1c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C15H17N5O2/c21-15(16-11-5-6-22-8-11)13-7-12(13)9-1-3-10(4-2-9)14-17-19-20-18-14/h1-4,11-13H,5-8H2,(H,16,21)(H,17,18,19,20)/t11-,12+,13-/m1/s1
InChIKeySKVUMRPJGJAXRN-FRRDWIJNSA-N
MW299.33 g/mol
LogP0.88
Rot. Bonds4

About trans-(1R,2R)-N-[(3R)-oxolan-3-yl]-2-[4-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide

trans-(1R,2R)-N-[(3R)-oxolan-3-yl]-2-[4-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 166311794) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(3R)-oxolan-3-yl]-2-[4-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(3R)-oxolan-3-yl]-2-[4-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID166311794
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Nametrans-(1R,2R)-N-[(3R)-oxolan-3-yl]-2-[4-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(N[C@@H]1CCOC1)[C@@H]1C[C@H]1c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C15H17N5O2/c21-15(16-11-5-6-22-8-11)13-7-12(13)9-1-3-10(4-2-9)14-17-19-20-18-14/h1-4,11-13H,5-8H2,(H,16,21)(H,17,18,19,20)/t11-,12+,13-/m1/s1
InChIKeySKVUMRPJGJAXRN-FRRDWIJNSA-N
XLogP0.88
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2R)-N-[(3R)-oxolan-3-yl]-2-[4-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

(2-methyloxolan-3-yl)-[4-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methanone
CID 166314237
2-amino-2-(oxan-4-yl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
CID 120792568
(2S)-2-[[(1S,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-[(3S)-oxan-3-yl]acetic acid
CID 129469510
(2R,3S)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-3-carboxamide
CID 120931676
cis-(1R,2S)-2-(4-fluorophenyl)-N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 97330422
4-[4-(2H-tetrazol-5-yl)phenyl]piperidine
CID 84792848
3-amino-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119778405
trans-(1R,2R)-N,N-dimethyl-2-[3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 166311782
4-(2H-tetrazol-5-yl)benzohydrazide
CID 43091169
trans-(1R,2R)-N-[[(3R)-oxolan-3-yl]methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 129377935
2-(4-chlorophenyl)-N-[2-hydroxy-5-(2H-tetrazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclopropane-1-carboxamide
CID 138696248
trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-fluoro-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 138696531

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(3R)-oxolan-3-yl]-2-[4-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(3R)-oxolan-3-yl]-2-[4-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide (CID 166311794) is trans-(1R,2R)-N-[(3R)-oxolan-3-yl]-2-[4-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[(3R)-oxolan-3-yl]-2-[4-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(3R)-oxolan-3-yl]-2-[4-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide is O=C(N[C@@H]1CCOC1)[C@@H]1C[C@H]1c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of trans-(1R,2R)-N-[(3R)-oxolan-3-yl]-2-[4-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is SKVUMRPJGJAXRN-FRRDWIJNSA-N. The full InChI is InChI=1S/C15H17N5O2/c21-15(16-11-5-6-22-8-11)13-7-12(13)9-1-3-10(4-2-9)14-17-19-20-18-14/h1-4,11-13H,5-8H2,(H,16,21)(H,17,18,19,20)/t11-,12+,13-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[(3R)-oxolan-3-yl]-2-[4-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[(3R)-oxolan-3-yl]-2-[4-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(3R)-oxolan-3-yl]-2-[4-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 166311794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).