N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carboxamide

C19H24FN5O2 — CID 126785554

IUPACN-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carboxamide
SMILESCc1nc(CN2CCCN(C(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)CC2)no1
InChIInChI=1S/C19H24FN5O2/c1-13-21-18(23-27-13)12-24-6-3-7-25(9-8-24)19(26)22-17-11-16(17)14-4-2-5-15(20)10-14/h2,4-5,10,16-17H,3,6-9,11-12H2,1H3,(H,22,26)/t16-,17+/m0/s1
InChIKeyDXKKVVOBXJQQTE-DLBZAZTESA-N
MW373.43 g/mol
LogP2.29
Rot. Bonds4

About N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carboxamide

N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carboxamide (PubChem CID 126785554) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carboxamide
PubChem CID126785554
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC NameN-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carboxamide
SMILESCc1nc(CN2CCCN(C(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)CC2)no1
InChIInChI=1S/C19H24FN5O2/c1-13-21-18(23-27-13)12-24-6-3-7-25(9-8-24)19(26)22-17-11-16(17)14-4-2-5-15(20)10-14/h2,4-5,10,16-17H,3,6-9,11-12H2,1H3,(H,22,26)/t16-,17+/m0/s1
InChIKeyDXKKVVOBXJQQTE-DLBZAZTESA-N
XLogP2.29
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide
CID 122130973
1-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]piperidine-1,4-dicarboxamide
CID 95588991
1-[[2-(3-fluorophenyl)cyclopropyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123706
N-[3-[(2-methoxyacetyl)amino]phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide
CID 72854229
3-cyclopropyl-2-fluoro-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]but-2-en-1-one
CID 126840505
1-[[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122012282
1-[5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbonyl]thiophen-2-yl]ethanone
CID 137343339
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 55119293
6-fluoro-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 91778645
(8-fluoroquinolin-2-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 70737643
methyl 1-[[2-(3-fluorophenyl)cyclopropyl]carbamoyl]-3-methylpyrrolidine-3-carboxylate
CID 84588477
N-[2-(3-fluorophenyl)cyclopropyl]-1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 86776948

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carboxamide (CID 126785554) is N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carboxamide is Cc1nc(CN2CCCN(C(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)CC2)no1.
What is the InChIKey of N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carboxamide?
The InChIKey is DXKKVVOBXJQQTE-DLBZAZTESA-N. The full InChI is InChI=1S/C19H24FN5O2/c1-13-21-18(23-27-13)12-24-6-3-7-25(9-8-24)19(26)22-17-11-16(17)14-4-2-5-15(20)10-14/h2,4-5,10,16-17H,3,6-9,11-12H2,1H3,(H,22,26)/t16-,17+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carboxamide?
N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 126785554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).