1,3-oxazol-5-ylmethyl N-[4-[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]phenyl]carbamate

C21H25N3O4 — CID 171824256

IUPAC1,3-oxazol-5-ylmethyl N-[4-[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]phenyl]carbamate
SMILESCC(C)C(=O)N1CC2(CC(c3ccc(NC(=O)OCc4cnco4)cc3)C2)C1
InChIInChI=1S/C21H25N3O4/c1-14(2)19(25)24-11-21(12-24)7-16(8-21)15-3-5-17(6-4-15)23-20(26)27-10-18-9-22-13-28-18/h3-6,9,13-14,16H,7-8,10-12H2,1-2H3,(H,23,26)
InChIKeyAZDNGTDMNLEDFC-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.79
Rot. Bonds5

About 1,3-oxazol-5-ylmethyl N-[4-[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]phenyl]carbamate

1,3-oxazol-5-ylmethyl N-[4-[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]phenyl]carbamate (PubChem CID 171824256) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1,3-oxazol-5-ylmethyl N-[4-[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]phenyl]carbamate.

Molecular Properties

Compound Name1,3-oxazol-5-ylmethyl N-[4-[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]phenyl]carbamate
PubChem CID171824256
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name1,3-oxazol-5-ylmethyl N-[4-[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]phenyl]carbamate
SMILESCC(C)C(=O)N1CC2(CC(c3ccc(NC(=O)OCc4cnco4)cc3)C2)C1
InChIInChI=1S/C21H25N3O4/c1-14(2)19(25)24-11-21(12-24)7-16(8-21)15-3-5-17(6-4-15)23-20(26)27-10-18-9-22-13-28-18/h3-6,9,13-14,16H,7-8,10-12H2,1-2H3,(H,23,26)
InChIKeyAZDNGTDMNLEDFC-UHFFFAOYSA-N
XLogP3.79
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-oxazol-5-ylmethyl N-[4-(2-azaspiro[3.3]heptan-6-yl)phenyl]carbamate
CID 171824263
tert-butyl 4-[4-(1,3-oxazol-5-ylmethoxycarbonylamino)phenyl]piperidine-1-carboxylate
CID 171824216
1,3-oxazol-5-ylmethyl N-[4-[[1-(dimethylaminosulfanyl)piperidin-4-yl]methyl]phenyl]carbamate
CID 171824226
1,3-oxazol-5-ylmethyl N-[4-(6-azaspiro[3.4]octan-2-yl)-3-fluorophenyl]carbamate
CID 171824051
1,3-oxazol-5-ylmethyl N-[4-[1-[(4-fluorobenzoyl)amino]ethyl]phenyl]carbamate
CID 171824320
1,3-oxazol-5-ylmethyl N-[4-[[8-(pyrrolidine-1-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]phenyl]carbamate
CID 171824484
[4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate
CID 162728348
methyl N-[(2R)-2-[6-(3-cyclobutylphenyl)-2-azaspiro[3.3]heptane-2-carbonyl]butyl]carbamate
CID 175627851
benzyl N-[4-(3,3-difluoro-1-methylpiperidin-4-yl)phenyl]carbamate
CID 25223284
N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011030
2-[4-[4-(phenylmethoxycarbonylamino)phenyl]cyclohexyl]acetic acid
CID 59464034
1-(1,3-oxazol-5-ylmethyl)-3-[4-[[1-(oxetan-3-yl)piperidin-4-yl]methyl]phenyl]urea
CID 171824773

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-5-ylmethyl N-[4-[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]phenyl]carbamate?
The IUPAC name of 1,3-oxazol-5-ylmethyl N-[4-[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]phenyl]carbamate (CID 171824256) is 1,3-oxazol-5-ylmethyl N-[4-[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]phenyl]carbamate.
What is the SMILES notation for 1,3-oxazol-5-ylmethyl N-[4-[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]phenyl]carbamate?
The canonical SMILES for 1,3-oxazol-5-ylmethyl N-[4-[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]phenyl]carbamate is CC(C)C(=O)N1CC2(CC(c3ccc(NC(=O)OCc4cnco4)cc3)C2)C1.
What is the InChIKey of 1,3-oxazol-5-ylmethyl N-[4-[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]phenyl]carbamate?
The InChIKey is AZDNGTDMNLEDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-14(2)19(25)24-11-21(12-24)7-16(8-21)15-3-5-17(6-4-15)23-20(26)27-10-18-9-22-13-28-18/h3-6,9,13-14,16H,7-8,10-12H2,1-2H3,(H,23,26).
What are the key properties of 1,3-oxazol-5-ylmethyl N-[4-[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]phenyl]carbamate?
1,3-oxazol-5-ylmethyl N-[4-[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]phenyl]carbamate has a molecular weight of 383.45 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazol-5-ylmethyl N-[4-[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]phenyl]carbamate is sourced from PubChem (CID 171824256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).