[2-(aminomethyl)-1,3-oxazol-4-yl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

C22H23N5O2 — CID 135105379

IUPAC[2-(aminomethyl)-1,3-oxazol-4-yl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
SMILESNCc1nc(C(=O)N2CCCC3(CCc4cnc(-c5ccccc5)nc43)C2)co1
InChIInChI=1S/C22H23N5O2/c23-11-18-25-17(13-29-18)21(28)27-10-4-8-22(14-27)9-7-16-12-24-20(26-19(16)22)15-5-2-1-3-6-15/h1-3,5-6,12-13H,4,7-11,14,23H2
InChIKeyLFNMABUDKLYLQG-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.71
Rot. Bonds3

About [2-(aminomethyl)-1,3-oxazol-4-yl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

[2-(aminomethyl)-1,3-oxazol-4-yl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone (PubChem CID 135105379) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-oxazol-4-yl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-oxazol-4-yl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
PubChem CID135105379
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name[2-(aminomethyl)-1,3-oxazol-4-yl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
SMILESNCc1nc(C(=O)N2CCCC3(CCc4cnc(-c5ccccc5)nc43)C2)co1
InChIInChI=1S/C22H23N5O2/c23-11-18-25-17(13-29-18)21(28)27-10-4-8-22(14-27)9-7-16-12-24-20(26-19(16)22)15-5-2-1-3-6-15/h1-3,5-6,12-13H,4,7-11,14,23H2
InChIKeyLFNMABUDKLYLQG-UHFFFAOYSA-N
XLogP2.71
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-methylcyclopropyl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135098601
2-amino-2-methyl-1-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)propan-1-one
CID 135098790
(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,3-thiazol-5-yl)methanone
CID 163318918
(5-methyl-1-propan-2-ylpyrazol-3-yl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 163317195
4-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1H-pyridin-2-one
CID 163314669
(4-methyl-1,3-thiazol-5-yl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135097209
1-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one
CID 135091787
5-methoxy-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1H-pyridin-4-one
CID 163313043
N,N-dimethyl-4-oxo-4-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)butanamide
CID 163317731
N-[2-oxo-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]methanesulfonamide
CID 135106933
1-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one
CID 135116264
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-quinoxalin-2-ylmethanone
CID 163310783

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-oxazol-4-yl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone?
The IUPAC name of [2-(aminomethyl)-1,3-oxazol-4-yl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone (CID 135105379) is [2-(aminomethyl)-1,3-oxazol-4-yl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-1,3-oxazol-4-yl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-1,3-oxazol-4-yl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone is NCc1nc(C(=O)N2CCCC3(CCc4cnc(-c5ccccc5)nc43)C2)co1.
What is the InChIKey of [2-(aminomethyl)-1,3-oxazol-4-yl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone?
The InChIKey is LFNMABUDKLYLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c23-11-18-25-17(13-29-18)21(28)27-10-4-8-22(14-27)9-7-16-12-24-20(26-19(16)22)15-5-2-1-3-6-15/h1-3,5-6,12-13H,4,7-11,14,23H2.
What are the key properties of [2-(aminomethyl)-1,3-oxazol-4-yl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone?
[2-(aminomethyl)-1,3-oxazol-4-yl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone has a molecular weight of 389.46 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-oxazol-4-yl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 135105379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).