N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide

C15H25N3O2 — CID 95112779

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1nc(C(C)C)oc1C
InChIInChI=1S/C15H25N3O2/c1-5-18-8-6-7-12(18)9-16-14(19)13-11(4)20-15(17-13)10(2)3/h10,12H,5-9H2,1-4H3,(H,16,19)/t12-/m1/s1
InChIKeyWVXAFCPPAUKQQQ-GFCCVEGCSA-N
MW279.38 g/mol
LogP2.32
Rot. Bonds5

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 95112779) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID95112779
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1nc(C(C)C)oc1C
InChIInChI=1S/C15H25N3O2/c1-5-18-8-6-7-12(18)9-16-14(19)13-11(4)20-15(17-13)10(2)3/h10,12H,5-9H2,1-4H3,(H,16,19)/t12-/m1/s1
InChIKeyWVXAFCPPAUKQQQ-GFCCVEGCSA-N
XLogP2.32
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide (CID 95112779) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide is CCN1CCC[C@@H]1CNC(=O)c1nc(C(C)C)oc1C.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is WVXAFCPPAUKQQQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-18-8-6-7-12(18)9-16-14(19)13-11(4)20-15(17-13)10(2)3/h10,12H,5-9H2,1-4H3,(H,16,19)/t12-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 95112779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).