(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclopropylmethyl)pyrrolidine-2-carboxamide

C16H25N3O2 — CID 67953300

IUPAC(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclopropylmethyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2CC2CC2)no1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)13-9-14(18-21-13)17-15(20)12-5-4-8-19(12)10-11-6-7-11/h9,11-12H,4-8,10H2,1-3H3,(H,17,18,20)/t12-/m0/s1
InChIKeyFZKIXPJXKHWLAY-LBPRGKRZSA-N
MW291.39 g/mol
LogP2.79
Rot. Bonds4

About (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclopropylmethyl)pyrrolidine-2-carboxamide

(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclopropylmethyl)pyrrolidine-2-carboxamide (PubChem CID 67953300) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclopropylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclopropylmethyl)pyrrolidine-2-carboxamide
PubChem CID67953300
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclopropylmethyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2CC2CC2)no1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)13-9-14(18-21-13)17-15(20)12-5-4-8-19(12)10-11-6-7-11/h9,11-12H,4-8,10H2,1-3H3,(H,17,18,20)/t12-/m0/s1
InChIKeyFZKIXPJXKHWLAY-LBPRGKRZSA-N
XLogP2.79
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclopropylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclopropylmethyl)pyrrolidine-2-carboxamide (CID 67953300) is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclopropylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclopropylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclopropylmethyl)pyrrolidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2CC2CC2)no1.
What is the InChIKey of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclopropylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is FZKIXPJXKHWLAY-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)13-9-14(18-21-13)17-15(20)12-5-4-8-19(12)10-11-6-7-11/h9,11-12H,4-8,10H2,1-3H3,(H,17,18,20)/t12-/m0/s1.
What are the key properties of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclopropylmethyl)pyrrolidine-2-carboxamide?
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclopropylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclopropylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 67953300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).