N-(cyclopropylmethyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide

C12H18N2O2 — CID 166662699

IUPACN-(cyclopropylmethyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
SMILESCC1=NOC2(C(=O)NCC3CC3)CCCC12
InChIInChI=1S/C12H18N2O2/c1-8-10-3-2-6-12(10,16-14-8)11(15)13-7-9-4-5-9/h9-10H,2-7H2,1H3,(H,13,15)
InChIKeyRYNIQGZRIJFGPS-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.46
Rot. Bonds3

About N-(cyclopropylmethyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide

N-(cyclopropylmethyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide (PubChem CID 166662699) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
PubChem CID166662699
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(cyclopropylmethyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
SMILESCC1=NOC2(C(=O)NCC3CC3)CCCC12
InChIInChI=1S/C12H18N2O2/c1-8-10-3-2-6-12(10,16-14-8)11(15)13-7-9-4-5-9/h9-10H,2-7H2,1H3,(H,13,15)
InChIKeyRYNIQGZRIJFGPS-UHFFFAOYSA-N
XLogP1.46
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide (CID 166662699) is N-(cyclopropylmethyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide is CC1=NOC2(C(=O)NCC3CC3)CCCC12.
What is the InChIKey of N-(cyclopropylmethyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The InChIKey is RYNIQGZRIJFGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-10-3-2-6-12(10,16-14-8)11(15)13-7-9-4-5-9/h9-10H,2-7H2,1H3,(H,13,15).
What are the key properties of N-(cyclopropylmethyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
N-(cyclopropylmethyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide is sourced from PubChem (CID 166662699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).