N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H18N2O2 — CID 155959173

IUPACN-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(N[C@@H]1[C@H]2Cc3ccccc3[C@H]21)C1CC(C2CC2)=NO1
InChIInChI=1S/C17H18N2O2/c20-17(14-8-13(19-21-14)9-5-6-9)18-16-12-7-10-3-1-2-4-11(10)15(12)16/h1-4,9,12,14-16H,5-8H2,(H,18,20)/t12-,14?,15+,16+/m0/s1
InChIKeyBYXSMMJDBTXGCJ-FHNKSYRXSA-N
MW282.34 g/mol
LogP2.00
Rot. Bonds3

About N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide

N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 155959173) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID155959173
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(N[C@@H]1[C@H]2Cc3ccccc3[C@H]21)C1CC(C2CC2)=NO1
InChIInChI=1S/C17H18N2O2/c20-17(14-8-13(19-21-14)9-5-6-9)18-16-12-7-10-3-1-2-4-11(10)15(12)16/h1-4,9,12,14-16H,5-8H2,(H,18,20)/t12-,14?,15+,16+/m0/s1
InChIKeyBYXSMMJDBTXGCJ-FHNKSYRXSA-N
XLogP2.00
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

(1R,2S)-2-N-[(1R,1aS,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1-N-cyclopropylcyclohex-4-ene-1,2-dicarboxamide
CID 129359194
3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 155961663
N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 155961618
3-cyclopropyl-N-(3,4-dihydro-2H-quinolin-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 155957462
(2S,4S)-N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120639152
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-(methylamino)acetamide
CID 119822552
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119822559
3-cyclopropyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 155957381
N-[(1R,1aS,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2,3-dihydroxybenzamide
CID 124625638
4-[2-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]amino]-2-oxoethyl]benzoic acid
CID 129469957
N-[(1R,1aS,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2,3,5,6-tetrafluorobenzamide
CID 98556741
N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 97333282

Frequently Asked Questions

What is the IUPAC name of N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 155959173) is N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@H]21)C1CC(C2CC2)=NO1.
What is the InChIKey of N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is BYXSMMJDBTXGCJ-FHNKSYRXSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-17(14-8-13(19-21-14)9-5-6-9)18-16-12-7-10-3-1-2-4-11(10)15(12)16/h1-4,9,12,14-16H,5-8H2,(H,18,20)/t12-,14?,15+,16+/m0/s1.
What are the key properties of N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 155959173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).