N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide

C16H21N3O3S — CID 72894025

IUPACN-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)N[C@H]2COC[C@H]2Cc2cc(C)no2)cs1
InChIInChI=1S/C16H21N3O3S/c1-3-4-15-17-14(9-23-15)16(20)18-13-8-21-7-11(13)6-12-5-10(2)19-22-12/h5,9,11,13H,3-4,6-8H2,1-2H3,(H,18,20)/t11-,13+/m1/s1
InChIKeyJQQAYYXXFMSRJS-YPMHNXCESA-N
MW335.43 g/mol
LogP2.38
Rot. Bonds6

About N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide

N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide (PubChem CID 72894025) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide
PubChem CID72894025
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)N[C@H]2COC[C@H]2Cc2cc(C)no2)cs1
InChIInChI=1S/C16H21N3O3S/c1-3-4-15-17-14(9-23-15)16(20)18-13-8-21-7-11(13)6-12-5-10(2)19-22-12/h5,9,11,13H,3-4,6-8H2,1-2H3,(H,18,20)/t11-,13+/m1/s1
InChIKeyJQQAYYXXFMSRJS-YPMHNXCESA-N
XLogP2.38
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide (CID 72894025) is N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide is CCCc1nc(C(=O)N[C@H]2COC[C@H]2Cc2cc(C)no2)cs1.
What is the InChIKey of N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is JQQAYYXXFMSRJS-YPMHNXCESA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-3-4-15-17-14(9-23-15)16(20)18-13-8-21-7-11(13)6-12-5-10(2)19-22-12/h5,9,11,13H,3-4,6-8H2,1-2H3,(H,18,20)/t11-,13+/m1/s1.
What are the key properties of N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide?
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 72894025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).