N-(3-fluoro-4-methoxyphenyl)-7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octane-2-carboxamide

C19H23FN4O3 — CID 146070518

IUPACN-(3-fluoro-4-methoxyphenyl)-7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octane-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CC3(CN(C)CC3c3ncc(C)o3)C2)cc1F
InChIInChI=1S/C19H23FN4O3/c1-12-7-21-17(27-12)14-8-23(2)9-19(14)10-24(11-19)18(25)22-13-4-5-16(26-3)15(20)6-13/h4-7,14H,8-11H2,1-3H3,(H,22,25)
InChIKeyWLYYHCAXESVQBM-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.69
Rot. Bonds3

About N-(3-fluoro-4-methoxyphenyl)-7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octane-2-carboxamide

N-(3-fluoro-4-methoxyphenyl)-7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octane-2-carboxamide (PubChem CID 146070518) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octane-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octane-2-carboxamide
PubChem CID146070518
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octane-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CC3(CN(C)CC3c3ncc(C)o3)C2)cc1F
InChIInChI=1S/C19H23FN4O3/c1-12-7-21-17(27-12)14-8-23(2)9-19(14)10-24(11-19)18(25)22-13-4-5-16(26-3)15(20)6-13/h4-7,14H,8-11H2,1-3H3,(H,22,25)
InChIKeyWLYYHCAXESVQBM-UHFFFAOYSA-N
XLogP2.69
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chloro-2-fluorophenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone
CID 146068114
(4-methoxy-2-methylphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone
CID 146068115
1-[(3-fluoro-4-methoxyphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149656
N-(3-fluoro-4-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 53168491
2-(cyclopropylmethylamino)-N-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
CID 119705687
(3-fluoro-4-methoxyphenyl)-[(4R)-8-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
CID 164629646
N-(3-fluoro-4-methoxyphenyl)imidazole-1-carboxamide
CID 81257589
(3R)-N-(3-fluoro-4-methoxyphenyl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104291
N-(3-fluoro-4-methoxyphenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050906
N-(3-fluoro-4-methoxyphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 87054348
2-bromo-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide
CID 114327553
3-ethoxy-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide
CID 47749624

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octane-2-carboxamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octane-2-carboxamide (CID 146070518) is N-(3-fluoro-4-methoxyphenyl)-7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octane-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octane-2-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octane-2-carboxamide is COc1ccc(NC(=O)N2CC3(CN(C)CC3c3ncc(C)o3)C2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octane-2-carboxamide?
The InChIKey is WLYYHCAXESVQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-12-7-21-17(27-12)14-8-23(2)9-19(14)10-24(11-19)18(25)22-13-4-5-16(26-3)15(20)6-13/h4-7,14H,8-11H2,1-3H3,(H,22,25).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octane-2-carboxamide?
N-(3-fluoro-4-methoxyphenyl)-7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octane-2-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octane-2-carboxamide is sourced from PubChem (CID 146070518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).