N-cyclopropyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide

C19H27N5O2 — CID 93071175

IUPACN-cyclopropyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide
SMILESCc1noc2nc(CCC(=O)NC3CC3)nc(N3C[C@H](C)C[C@@H](C)C3)c12
InChIInChI=1S/C19H27N5O2/c1-11-8-12(2)10-24(9-11)18-17-13(3)23-26-19(17)22-15(21-18)6-7-16(25)20-14-4-5-14/h11-12,14H,4-10H2,1-3H3,(H,20,25)/t11-,12-/m1/s1
InChIKeyWTQQTIBWPDNWAB-VXGBXAGGSA-N
MW357.46 g/mol
LogP2.62
Rot. Bonds5

About N-cyclopropyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide

N-cyclopropyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide (PubChem CID 93071175) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide
PubChem CID93071175
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-cyclopropyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide
SMILESCc1noc2nc(CCC(=O)NC3CC3)nc(N3C[C@H](C)C[C@@H](C)C3)c12
InChIInChI=1S/C19H27N5O2/c1-11-8-12(2)10-24(9-11)18-17-13(3)23-26-19(17)22-15(21-18)6-7-16(25)20-14-4-5-14/h11-12,14H,4-10H2,1-3H3,(H,20,25)/t11-,12-/m1/s1
InChIKeyWTQQTIBWPDNWAB-VXGBXAGGSA-N
XLogP2.62
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide (CID 93071175) is N-cyclopropyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide is Cc1noc2nc(CCC(=O)NC3CC3)nc(N3C[C@H](C)C[C@@H](C)C3)c12.
What is the InChIKey of N-cyclopropyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide?
The InChIKey is WTQQTIBWPDNWAB-VXGBXAGGSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-11-8-12(2)10-24(9-11)18-17-13(3)23-26-19(17)22-15(21-18)6-7-16(25)20-14-4-5-14/h11-12,14H,4-10H2,1-3H3,(H,20,25)/t11-,12-/m1/s1.
What are the key properties of N-cyclopropyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide?
N-cyclopropyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide has a molecular weight of 357.46 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide is sourced from PubChem (CID 93071175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).